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3-Phenylphthalide, 99%

CAS: 5398-11-8 MDL Number: MFCD00023099

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Specifications

Complex Ketones

CAS	5398-11-8
MDL Number	MFCD00023099

(R)-(+)-N-BOC-2-Piperidinecarboxylic acid, 98%

CAS: 28697-17-8 Molecular Formula: C₁₁H₁₉NO₄ Molecular Weight (g/mol): 229.27 MDL Number: MFCD00237380 InChI Key: JQAOHGMPAAWWQO-MRVPVSSYSA-N Synonym: r-+-n-boc-2-piperidinecarboxylic acid,boc-d-hopro-oh,boc-d-pipecolic acid,r-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,boc-d-pip-oh,d-n-boc-pipecolic acid,r-1-n-boc-pipecolinic acid,r-n-boc-piperidine-2-carboxylic acid,+-n-boc-r-pipecolinic acid,r-n-boc-2-piperidinecarboxylic acid PubChem CID: 688618 IUPAC Name: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCCC1C(=O)O

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Specifications

Piperidines

PubChem CID	688618
CAS	28697-17-8
Molecular Weight (g/mol)	229.27
MDL Number	MFCD00237380
SMILES	CC(C)(C)OC(=O)N1CCCCC1C(=O)O
Synonym	r-+-n-boc-2-piperidinecarboxylic acid,boc-d-hopro-oh,boc-d-pipecolic acid,r-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,boc-d-pip-oh,d-n-boc-pipecolic acid,r-1-n-boc-pipecolinic acid,r-n-boc-piperidine-2-carboxylic acid,+-n-boc-r-pipecolinic acid,r-n-boc-2-piperidinecarboxylic acid
IUPAC Name	(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
InChI Key	JQAOHGMPAAWWQO-MRVPVSSYSA-N
Molecular Formula	C₁₁H₁₉NO₄

Imidazo[1,2-a]pyridine-2-carboxylic acid monohydrate, 97%

CAS: 64951-08-2 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD03419462 InChI Key: WQLJLPDGSLZYEP-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridine-2-carboxylic acid,imidazo 1,2-a pyridine-2-carboxylicacid,h-imidazo 1,2-a pyridine-2-carboxylic acid,4-hydroimidazo 1,2-a pyridine-2-carboxylic acid,imidazo 1,2-a pyridine-2-carboxylic,1h-imidazo 1,2-a pyridine-2-carboxylic acid,imidazo 1,2-a pyridine-2-carboxylic acid, technical grade PubChem CID: 2062168 IUPAC Name: imidazo[1,2-a]pyridine-2-carboxylic acid SMILES: OC(=O)C1=CN2C=CC=CC2=N1

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Specifications

Imidazopyridines

PubChem CID	2062168
CAS	64951-08-2
Molecular Weight (g/mol)	162.15
MDL Number	MFCD03419462
SMILES	OC(=O)C1=CN2C=CC=CC2=N1
Synonym	imidazo 1,2-a pyridine-2-carboxylic acid,imidazo 1,2-a pyridine-2-carboxylicacid,h-imidazo 1,2-a pyridine-2-carboxylic acid,4-hydroimidazo 1,2-a pyridine-2-carboxylic acid,imidazo 1,2-a pyridine-2-carboxylic,1h-imidazo 1,2-a pyridine-2-carboxylic acid,imidazo 1,2-a pyridine-2-carboxylic acid, technical grade
IUPAC Name	imidazo[1,2-a]pyridine-2-carboxylic acid
InChI Key	WQLJLPDGSLZYEP-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

2-Bromo-4-nitropyridine N-oxide, 97%

CAS: 52092-43-0 Molecular Formula: C5H3BrN2O3 Molecular Weight (g/mol): 218.99 MDL Number: MFCD00160743 InChI Key: IRBDHXCXCSFNEQ-UHFFFAOYSA-N Synonym: 2-bromo-4-nitropyridine 1-oxide,2-bromo-4-nitropyridine n-oxide,2-bromo-4-nitropyridine-n-oxide,2-bromo-4-nitropyridin-1-ium-1-olate,pyridine, 2-bromo-4-nitro-, 1-oxide,2-bromo-4-nitropyridine1-oxide,2-bromo-4-nitropyridine oxide,2-bromo-4-nitropyridin-1-ol,pubchem5958,acmc-1astu PubChem CID: 3904026 SMILES: [O-][N+](=O)C1=CC=[N+]([O-])C(Br)=C1

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Specifications

Pyridines and derivatives

PubChem CID	3904026
CAS	52092-43-0
Molecular Weight (g/mol)	218.99
MDL Number	MFCD00160743
SMILES	[O-][N+](=O)C1=CC=[N+]([O-])C(Br)=C1
Synonym	2-bromo-4-nitropyridine 1-oxide,2-bromo-4-nitropyridine n-oxide,2-bromo-4-nitropyridine-n-oxide,2-bromo-4-nitropyridin-1-ium-1-olate,pyridine, 2-bromo-4-nitro-, 1-oxide,2-bromo-4-nitropyridine1-oxide,2-bromo-4-nitropyridine oxide,2-bromo-4-nitropyridin-1-ol,pubchem5958,acmc-1astu
InChI Key	IRBDHXCXCSFNEQ-UHFFFAOYSA-N
Molecular Formula	C5H3BrN2O3

1-Benzyl-2-pyrrolidinone, 97%, Thermo Scientific Chemicals

CAS: 5291-77-0 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00003195 InChI Key: LVUQCTGSDJLWCE-UHFFFAOYSA-N Synonym: 1-benzyl-2-pyrrolidinone,n-benzyl-2-pyrrolidinone,n-benzyl-2-pyrrolidone,1-benzyl-2-pyrrolidone,n-benzylpyrrolidin-2-one,2-pyrrolidinone, 1-phenylmethyl,n-benzylpyrrolidone,1-benzylpyrrolidone,n-benzylpyrrolidinone,acmc-1aste PubChem CID: 79176 IUPAC Name: 1-benzylpyrrolidin-2-one SMILES: C1CC(=O)N(C1)CC2=CC=CC=C2

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Specifications

Pyrrolidines

PubChem CID	79176
CAS	5291-77-0
Molecular Weight (g/mol)	175.231
MDL Number	MFCD00003195
SMILES	C1CC(=O)N(C1)CC2=CC=CC=C2
Synonym	1-benzyl-2-pyrrolidinone,n-benzyl-2-pyrrolidinone,n-benzyl-2-pyrrolidone,1-benzyl-2-pyrrolidone,n-benzylpyrrolidin-2-one,2-pyrrolidinone, 1-phenylmethyl,n-benzylpyrrolidone,1-benzylpyrrolidone,n-benzylpyrrolidinone,acmc-1aste
IUPAC Name	1-benzylpyrrolidin-2-one
InChI Key	LVUQCTGSDJLWCE-UHFFFAOYSA-N
Molecular Formula	C11H13NO

2-Amino-4-methylpyrimidine, 97%

CAS: 108-52-1 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006101 InChI Key: GHCFWKFREBNSPC-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine PubChem CID: 7939 IUPAC Name: 4-methylpyrimidin-2-amine SMILES: CC1=NC(=NC=C1)N

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Specifications

Heteroaromatic compounds

PubChem CID	7939
CAS	108-52-1
Molecular Weight (g/mol)	109.132
MDL Number	MFCD00006101
SMILES	CC1=NC(=NC=C1)N
Synonym	2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine
IUPAC Name	4-methylpyrimidin-2-amine
InChI Key	GHCFWKFREBNSPC-UHFFFAOYSA-N
Molecular Formula	C5H7N3

3-Chloro-4-hydroxypyridine, 98%

CAS: 89284-20-8 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.54 MDL Number: MFCD04114248 InChI Key: NKEYLLFRPHHBOQ-UHFFFAOYSA-N Synonym: 3-chloro-4-hydroxypyridine,3-chloropyridin-4-ol,4-pyridinol, 3-chloro,3-chloropyridin-4 1h-one,3-chloro-4-hydroxy pyridine,pubchem6680,3-chloro-4-pyridinol,3-chloropyridine-4-ol,acmc-20a0ep,4 1h-pyridinone,3-chloro PubChem CID: 2762929 IUPAC Name: 3-chloro-1H-pyridin-4-one SMILES: ClC1=CNC=CC1=O

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Specifications

Pyridines and derivatives

PubChem CID	2762929
CAS	89284-20-8
Molecular Weight (g/mol)	129.54
MDL Number	MFCD04114248
SMILES	ClC1=CNC=CC1=O
Synonym	3-chloro-4-hydroxypyridine,3-chloropyridin-4-ol,4-pyridinol, 3-chloro,3-chloropyridin-4 1h-one,3-chloro-4-hydroxy pyridine,pubchem6680,3-chloro-4-pyridinol,3-chloropyridine-4-ol,acmc-20a0ep,4 1h-pyridinone,3-chloro
IUPAC Name	3-chloro-1H-pyridin-4-one
InChI Key	NKEYLLFRPHHBOQ-UHFFFAOYSA-N
Molecular Formula	C5H4ClNO

4-Trifluoromethyl-1H-pyrazole, 97%

CAS: 52222-73-8 Molecular Formula: C4H3F3N2 Molecular Weight (g/mol): 136.077 MDL Number: MFCD11226572 InChI Key: KDEJQUNODYXYBJ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl-1h-pyrazole,1h-pyrazole, 4-trifluoromethyl,4-trifluoromethylpyrazole,4-trifluoromethyl pyrazole,4-trifluoromethyl-1 h-pyrazole,4-trifluoromethyl ;-1h-pyrazole PubChem CID: 12777795 IUPAC Name: 4-(trifluoromethyl)-1H-pyrazole SMILES: C1=C(C=NN1)C(F)(F)F

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Specifications

Pyrazoles

PubChem CID	12777795
CAS	52222-73-8
Molecular Weight (g/mol)	136.077
MDL Number	MFCD11226572
SMILES	C1=C(C=NN1)C(F)(F)F
Synonym	4-trifluoromethyl-1h-pyrazole,1h-pyrazole, 4-trifluoromethyl,4-trifluoromethylpyrazole,4-trifluoromethyl pyrazole,4-trifluoromethyl-1 h-pyrazole,4-trifluoromethyl ;-1h-pyrazole
IUPAC Name	4-(trifluoromethyl)-1H-pyrazole
InChI Key	KDEJQUNODYXYBJ-UHFFFAOYSA-N
Molecular Formula	C4H3F3N2

2-Amino-4,6-dimethylpyrimidine, 98%

CAS: 767-15-7 Molecular Formula: C6H9N3 Molecular Weight (g/mol): 123.16 MDL Number: MFCD00006102 InChI Key: IDQNBVFPZMCDDN-UHFFFAOYSA-N Synonym: 2-amino-4,6-dimethylpyrimidine,acetylacetoneguanidine,2-pyrimidinamine, 4,6-dimethyl,4,6-dimethyl-2-pyrimidinamine,4,6-dimethylpyrimidin-2-ylamine,4,6-dimethyl-2-aminopyrimidine,pyrimidine, 2-amino-4,6-dimethyl,unii-4s48mi253m,2-amine-4,6-dimethylpyrimidine,2-amino-4,6-dimethyl pyrimidine PubChem CID: 13021 IUPAC Name: 4,6-dimethylpyrimidin-2-amine SMILES: CC1=CC(C)=NC(N)=N1

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Specifications

Heteroaromatic compounds

PubChem CID	13021
CAS	767-15-7
Molecular Weight (g/mol)	123.16
MDL Number	MFCD00006102
SMILES	CC1=CC(C)=NC(N)=N1
Synonym	2-amino-4,6-dimethylpyrimidine,acetylacetoneguanidine,2-pyrimidinamine, 4,6-dimethyl,4,6-dimethyl-2-pyrimidinamine,4,6-dimethylpyrimidin-2-ylamine,4,6-dimethyl-2-aminopyrimidine,pyrimidine, 2-amino-4,6-dimethyl,unii-4s48mi253m,2-amine-4,6-dimethylpyrimidine,2-amino-4,6-dimethyl pyrimidine
IUPAC Name	4,6-dimethylpyrimidin-2-amine
InChI Key	IDQNBVFPZMCDDN-UHFFFAOYSA-N
Molecular Formula	C6H9N3

2-Bromo-3-methyl-5-nitropyridine, 97%

CAS: 23132-21-0 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD03095065 InChI Key: FZIQHPKXSLHGBZ-UHFFFAOYSA-N Synonym: 2-bromo-5-nitro-3-picoline,2-bromo-3-methyl-5-nitro-pyridine,pyridine, 2-bromo-3-methyl-5-nitro,2-hydroxy-5-nitro-3-picoline 2-hydroxy-3-methyl-5-nitropyridine,pubchem10608,acmc-209g1c,ksc496c3r,fziqhpkxslhgbz-uhfffaoysa,2-bromo-3-methyl-5-nitro pyridine,2-bromanyl-3-methyl-5-nitro-pyridine PubChem CID: 5200466 IUPAC Name: 2-bromo-3-methyl-5-nitropyridine SMILES: CC1=CC(=CN=C1Br)[N+](=O)[O-]

Pricing and Availability
Specifications

Pyridines and derivatives

PubChem CID	5200466
CAS	23132-21-0
Molecular Weight (g/mol)	217.022
MDL Number	MFCD03095065
SMILES	CC1=CC(=CN=C1Br)[N+](=O)[O-]
Synonym	2-bromo-5-nitro-3-picoline,2-bromo-3-methyl-5-nitro-pyridine,pyridine, 2-bromo-3-methyl-5-nitro,2-hydroxy-5-nitro-3-picoline 2-hydroxy-3-methyl-5-nitropyridine,pubchem10608,acmc-209g1c,ksc496c3r,fziqhpkxslhgbz-uhfffaoysa,2-bromo-3-methyl-5-nitro pyridine,2-bromanyl-3-methyl-5-nitro-pyridine
IUPAC Name	2-bromo-3-methyl-5-nitropyridine
InChI Key	FZIQHPKXSLHGBZ-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

(+/-)-1-Benzyloxycarbonyl-4-Boc-piperazine-2-carboxylic acid, 97%

CAS: 126937-41-5 Molecular Formula: C18H24N2O6 Molecular Weight (g/mol): 364.398 MDL Number: MFCD01631192 InChI Key: MKXMXZZARNRMMQ-UHFFFAOYSA-N Synonym: n-4-boc-n-1-cbz-2-piperazine carboxylic acid,4-boc-1-cbz-2-piperazinecarboxylic acid,1-benzyloxy carbonyl-4-tert-butoxycarbonyl piperazine-2-carboxylic acid,4-boc-1-cbz-2-piperazinecarboxylicacid,1-benzyloxycarbonyl-4-tert-butoxycarbonyl piperazine-2-carboxylic acid,4-boc-1-cbz-piperazine-2-carboxylic acid,4-n-boc-1-n-cbz-piperazine-2-carboxylic acid,n-1-boc-n-4-cbz-2-piperazinecarboxylic acid t-butyl ester,+/--1-benzyloxycarbonyl-4-boc-piperazine-2-carboxylic acid PubChem CID: 2756777 IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2

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Specifications

Piperazines

PubChem CID	2756777
CAS	126937-41-5
Molecular Weight (g/mol)	364.398
MDL Number	MFCD01631192
SMILES	CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2
Synonym	n-4-boc-n-1-cbz-2-piperazine carboxylic acid,4-boc-1-cbz-2-piperazinecarboxylic acid,1-benzyloxy carbonyl-4-tert-butoxycarbonyl piperazine-2-carboxylic acid,4-boc-1-cbz-2-piperazinecarboxylicacid,1-benzyloxycarbonyl-4-tert-butoxycarbonyl piperazine-2-carboxylic acid,4-boc-1-cbz-piperazine-2-carboxylic acid,4-n-boc-1-n-cbz-piperazine-2-carboxylic acid,n-1-boc-n-4-cbz-2-piperazinecarboxylic acid t-butyl ester,+/--1-benzyloxycarbonyl-4-boc-piperazine-2-carboxylic acid
IUPAC Name	4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
InChI Key	MKXMXZZARNRMMQ-UHFFFAOYSA-N
Molecular Formula	C18H24N2O6

(S)-N-BOC-Piperidine-2-carboxylic acid, 98%

CAS: 26250-84-0 MDL Number: MFCD00151904 InChI Key: JQAOHGMPAAWWQO-QMMMGPOBSA-N Synonym: boc-pip-oh,s-1-boc-piperidine-2-carboxylic acid,s-n-boc-piperidine-2-carboxylic acid,s-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,boc-l-pipecolic acid,boc-l-pip-oh,n-boc-l-pipecolinic acid,l-n-boc-pipecolic acid,2s-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,2s-1-tert-butoxy carbonyl piperidine-2-carboxylic acid PubChem CID: 688617 IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCCC1C(=O)O

Pricing and Availability
Specifications

Piperidines

PubChem CID	688617
CAS	26250-84-0
MDL Number	MFCD00151904
SMILES	CC(C)(C)OC(=O)N1CCCCC1C(=O)O
Synonym	boc-pip-oh,s-1-boc-piperidine-2-carboxylic acid,s-n-boc-piperidine-2-carboxylic acid,s-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,boc-l-pipecolic acid,boc-l-pip-oh,n-boc-l-pipecolinic acid,l-n-boc-pipecolic acid,2s-1-tert-butoxycarbonyl piperidine-2-carboxylic acid,2s-1-tert-butoxy carbonyl piperidine-2-carboxylic acid
IUPAC Name	(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
InChI Key	JQAOHGMPAAWWQO-QMMMGPOBSA-N

1-Boc-isonipecotic acid ethyl ester, 97+%

CAS: 142851-03-4 Molecular Formula: C13H23NO4 Molecular Weight (g/mol): 257.33 MDL Number: MFCD01763998 InChI Key: MYHJCTUTPIKNAT-UHFFFAOYSA-N Synonym: ethyl n-boc-piperidine-4-carboxylate,1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate,ethyl n-boc-4-piperidinecarboxylate,n-boc-4-carbethoxy piperidine,1,4-piperidinedicarboxylic acid, 1-1,1-dimethylethyl 4-ethyl ester,ethyl n-boc-isonipecotate,ethyl 1-boc-piperidine-4-carboxylate,dimethylethyl piperidinedicarboxylic acid ethyl ester,1-boc-piperidine-4-carboxylic acid ethyl ester,1-boc-isonipecotic acid ethyl ester PubChem CID: 2758812 IUPAC Name: 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate SMILES: CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

Pricing and Availability
Specifications

Piperidines

PubChem CID	2758812
CAS	142851-03-4
Molecular Weight (g/mol)	257.33
MDL Number	MFCD01763998
SMILES	CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Synonym	ethyl n-boc-piperidine-4-carboxylate,1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate,ethyl n-boc-4-piperidinecarboxylate,n-boc-4-carbethoxy piperidine,1,4-piperidinedicarboxylic acid, 1-1,1-dimethylethyl 4-ethyl ester,ethyl n-boc-isonipecotate,ethyl 1-boc-piperidine-4-carboxylate,dimethylethyl piperidinedicarboxylic acid ethyl ester,1-boc-piperidine-4-carboxylic acid ethyl ester,1-boc-isonipecotic acid ethyl ester
IUPAC Name	1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate
InChI Key	MYHJCTUTPIKNAT-UHFFFAOYSA-N
Molecular Formula	C13H23NO4

4-Benzylpiperidine, 98%

CAS: 31252-42-3 Molecular Formula: C12H17N Molecular Weight (g/mol): 175.28 MDL Number: MFCD00006006 InChI Key: ABGXADJDTPFFSZ-UHFFFAOYSA-N Synonym: piperidine, 4-phenylmethyl,4-phenylmethyl piperidine,4-benzyl-piperidine,piperidine, 4-benzyl,phenyl 4-piperidyl methane,alpha-4-piperidyl toluene,unii-jdf1t4667s,4-benzyl piperidine,4-benzylpiperdine,4-benzylpiperidin PubChem CID: 31738 IUPAC Name: 4-benzylpiperidine SMILES: C(C1CCNCC1)C1=CC=CC=C1

Pricing and Availability
Specifications

Piperidines

PubChem CID	31738
CAS	31252-42-3
Molecular Weight (g/mol)	175.28
MDL Number	MFCD00006006
SMILES	C(C1CCNCC1)C1=CC=CC=C1
Synonym	piperidine, 4-phenylmethyl,4-phenylmethyl piperidine,4-benzyl-piperidine,piperidine, 4-benzyl,phenyl 4-piperidyl methane,alpha-4-piperidyl toluene,unii-jdf1t4667s,4-benzyl piperidine,4-benzylpiperdine,4-benzylpiperidin
IUPAC Name	4-benzylpiperidine
InChI Key	ABGXADJDTPFFSZ-UHFFFAOYSA-N
Molecular Formula	C12H17N

1-Isoquinolinecarbonitrile, 98%, Thermo Scientific Chemicals

CAS: 1198-30-7 Molecular Formula: C₁₀H₆N₂ Molecular Weight (g/mol): 154.17 InChI Key: HJHXYSBRTVFEDD-UHFFFAOYSA-N Synonym: 1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487 PubChem CID: 306057 IUPAC Name: isoquinoline-1-carbonitrile SMILES: C1=CC=C2C(=C1)C=CN=C2C#N

Pricing and Availability
Specifications

Heteroaromatic compounds

PubChem CID	306057
CAS	1198-30-7
Molecular Weight (g/mol)	154.17
SMILES	C1=CC=C2C(=C1)C=CN=C2C#N
Synonym	1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487
IUPAC Name	isoquinoline-1-carbonitrile
InChI Key	HJHXYSBRTVFEDD-UHFFFAOYSA-N
Molecular Formula	C₁₀H₆N₂

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