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Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

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1 – 15 of 25 results
1

Benzethonium chloride, 97%

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.08 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

PubChem CID 8478
CAS 121-54-0
Molecular Weight (g/mol) 448.08
ChEBI CHEBI:31264
MDL Number MFCD00011742
SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
IUPAC Name benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula C27H42ClNO2
2

2-(3-Bromophenyl)propan-2-ol, 97%, Thermo Scientific™

CAS: 30951-66-7 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 InChI Key: ZRFMJMFYMQAUDO-UHFFFAOYSA-N Synonym: 2-3-bromophenyl propan-2-ol,2-3-bromophenyl-2-propanol,acmc-209hjh,2-3-bromophenyl-propan-2-ol,2-3-bromo-phenyl-propan-2-ol,3-alpha-hydroxyisopropyl-1-bromobenzene PubChem CID: 15072383 IUPAC Name: 2-(3-bromophenyl)propan-2-ol SMILES: CC(C)(C1=CC(=CC=C1)Br)O

PubChem CID 15072383
CAS 30951-66-7
Molecular Weight (g/mol) 215.09
SMILES CC(C)(C1=CC(=CC=C1)Br)O
Synonym 2-3-bromophenyl propan-2-ol,2-3-bromophenyl-2-propanol,acmc-209hjh,2-3-bromophenyl-propan-2-ol,2-3-bromo-phenyl-propan-2-ol,3-alpha-hydroxyisopropyl-1-bromobenzene
IUPAC Name 2-(3-bromophenyl)propan-2-ol
InChI Key ZRFMJMFYMQAUDO-UHFFFAOYSA-N
Molecular Formula C9H11BrO
3

1-(4-Fluorophenyl)-1-methylethylamine, 97%

CAS: 17797-10-3 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD07777176 InChI Key: NYFSRXOWJXAHOO-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl propan-2-amine,1-4-fluorophenyl-1-methylethylamine,1-4-fluorophenyl-1-methyl-ethylamine,1-4-fluoro-phenyl-1-methyl-ethylamine,2-4-fluorophenyl prop-2-ylamine,1-methyl-1-4-fluorophenyl ethylamine,4-fluorocumylamine,pubchem16914,4-fluoro-alpha,alpha-dimethylbenzylamine,alpha,alpha-dimethyl-4-fluorobenzylamine PubChem CID: 13025665 IUPAC Name: 2-(4-fluorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(F)C=C1

PubChem CID 13025665
CAS 17797-10-3
Molecular Weight (g/mol) 153.20
MDL Number MFCD07777176
SMILES CC(C)(N)C1=CC=C(F)C=C1
Synonym 2-4-fluorophenyl propan-2-amine,1-4-fluorophenyl-1-methylethylamine,1-4-fluorophenyl-1-methyl-ethylamine,1-4-fluoro-phenyl-1-methyl-ethylamine,2-4-fluorophenyl prop-2-ylamine,1-methyl-1-4-fluorophenyl ethylamine,4-fluorocumylamine,pubchem16914,4-fluoro-alpha,alpha-dimethylbenzylamine,alpha,alpha-dimethyl-4-fluorobenzylamine
IUPAC Name 2-(4-fluorophenyl)propan-2-amine
InChI Key NYFSRXOWJXAHOO-UHFFFAOYSA-N
Molecular Formula C9H12FN
5

3,5-Di(tert-butyl)-4-hydroxybenzonitrile, 97%, Thermo Scientific™

CAS: 1988-88-1 Molecular Formula: C15H21NO Molecular Weight (g/mol): 231.34 MDL Number: MFCD00156137 InChI Key: AKXIIOLURNATOC-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile PubChem CID: 137274 SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N

PubChem CID 137274
CAS 1988-88-1
Molecular Weight (g/mol) 231.34
MDL Number MFCD00156137
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N
Synonym 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile
InChI Key AKXIIOLURNATOC-UHFFFAOYSA-N
Molecular Formula C15H21NO
6

4-(tert-Butyl)phenyl isocyanate, 97%, Thermo Scientific™

CAS: 1943-67-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00040718 InChI Key: WUWBDQJTQTVBSQ-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate PubChem CID: 2735695 IUPAC Name: 1-tert-butyl-4-isocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=O

PubChem CID 2735695
CAS 1943-67-5
Molecular Weight (g/mol) 175.231
MDL Number MFCD00040718
SMILES CC(C)(C)C1=CC=C(C=C1)N=C=O
Synonym 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate
IUPAC Name 1-tert-butyl-4-isocyanatobenzene
InChI Key WUWBDQJTQTVBSQ-UHFFFAOYSA-N
Molecular Formula C11H13NO
7

4-(tert-Butyl)-2-chloroaniline, 95%, Thermo Scientific™

CAS: 42265-67-8 Molecular Formula: C10H14ClN Molecular Weight (g/mol): 183.68 MDL Number: MFCD00052272 InChI Key: MFEZEFHCSBXPPO-UHFFFAOYSA-N Synonym: 4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl PubChem CID: 521094 IUPAC Name: 4-tert-butyl-2-chloroaniline SMILES: CC(C)(C)C1=CC(Cl)=C(N)C=C1

PubChem CID 521094
CAS 42265-67-8
Molecular Weight (g/mol) 183.68
MDL Number MFCD00052272
SMILES CC(C)(C)C1=CC(Cl)=C(N)C=C1
Synonym 4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl
IUPAC Name 4-tert-butyl-2-chloroaniline
InChI Key MFEZEFHCSBXPPO-UHFFFAOYSA-N
Molecular Formula C10H14ClN
8

4-(tert-Butyl)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 19241-24-8 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00022059 InChI Key: OCGNNCBNRBTUCG-UHFFFAOYSA-N PubChem CID: 140503 IUPAC Name: 1-tert-butyl-4-isothiocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=S

PubChem CID 140503
CAS 19241-24-8
Molecular Weight (g/mol) 191.292
MDL Number MFCD00022059
SMILES CC(C)(C)C1=CC=C(C=C1)N=C=S
IUPAC Name 1-tert-butyl-4-isothiocyanatobenzene
InChI Key OCGNNCBNRBTUCG-UHFFFAOYSA-N
Molecular Formula C11H13NS
9

2-Methyl-2-phenylpropanenitrile, 97%

CAS: 1195-98-8 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 InChI Key: PGQTYXFMSZUGOW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenyl-propionitrile,phenylisobutyronitrile,2-phenylisobutyronitrile,2-methyl-2-phenylpropionitrile,2-methyl-2-phenyl-propanenitrile,alpha,alpha-dimethylbenzyl cyanide,benzeneacetonitrile,a,a-dimethyl,alpha,alpha-dimethylphenylacetonitrile,benzeneacetonitrile,,a,,a-dimethyl,benzeneacetonitrile, alpha,alpha-dimethyl PubChem CID: 2797591 IUPAC Name: 2-methyl-2-phenylpropanenitrile SMILES: CC(C)(C#N)C1=CC=CC=C1

PubChem CID 2797591
CAS 1195-98-8
Molecular Weight (g/mol) 145.21
SMILES CC(C)(C#N)C1=CC=CC=C1
Synonym 2-methyl-2-phenyl-propionitrile,phenylisobutyronitrile,2-phenylisobutyronitrile,2-methyl-2-phenylpropionitrile,2-methyl-2-phenyl-propanenitrile,alpha,alpha-dimethylbenzyl cyanide,benzeneacetonitrile,a,a-dimethyl,alpha,alpha-dimethylphenylacetonitrile,benzeneacetonitrile,,a,,a-dimethyl,benzeneacetonitrile, alpha,alpha-dimethyl
IUPAC Name 2-methyl-2-phenylpropanenitrile
InChI Key PGQTYXFMSZUGOW-UHFFFAOYSA-N
Molecular Formula C10H11N
10

4-tert-Butylaniline, 99%

CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00007899 InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N Synonym: 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine PubChem CID: 69861 IUPAC Name: 4-tert-butylaniline SMILES: CC(C)(C)C1=CC=C(C=C1)N

PubChem CID 69861
CAS 769-92-6
Molecular Weight (g/mol) 149.24
MDL Number MFCD00007899
SMILES CC(C)(C)C1=CC=C(C=C1)N
Synonym 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine
IUPAC Name 4-tert-butylaniline
InChI Key WRDWWAVNELMWAM-UHFFFAOYSA-N
Molecular Formula C10H15N
11
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4,4'-Isopropylidenediphenol, 97%

CAS: 80-05-7 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00002366 InChI Key: IISBACLAFKSPIT-UHFFFAOYSA-N Synonym: bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian PubChem CID: 6623 ChEBI: CHEBI:33216 IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

PubChem CID 6623
CAS 80-05-7
Molecular Weight (g/mol) 228.29
ChEBI CHEBI:33216
MDL Number MFCD00002366
SMILES CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian
IUPAC Name 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
InChI Key IISBACLAFKSPIT-UHFFFAOYSA-N
Molecular Formula C15H16O2
12

(1S,2S)-2-Amino-1-phenylpropyldiphenylphosphine, 97%, Thermo Scientific™

CAS: 341968-71-6 Molecular Formula: C21H22NP Molecular Weight (g/mol): 319.39 MDL Number: MFCD11044864 InChI Key: JWZAIGGNEGTDMG-AURADERDNA-N Synonym: 1s,2s-1-diphenylphosphino-1-phenylpropan-2-amine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-1-diphenylphosphanyl-1-phenylpropan-2-amine,1s,2s-2-diphenylphosphino-1-methyl-2-phenylethylamine,1s,2s-2-amino-1-phenylpropyl diphenylphosphane,1s,2s-1-diphenylphosphino-1-phenyl-2-propanamine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,min,s,s-+-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine, kanata purity PubChem CID: 46176707 IUPAC Name: (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine SMILES: C[C@H](N)[C@@H](P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 46176707
CAS 341968-71-6
Molecular Weight (g/mol) 319.39
MDL Number MFCD11044864
SMILES C[C@H](N)[C@@H](P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1s,2s-1-diphenylphosphino-1-phenylpropan-2-amine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-1-diphenylphosphanyl-1-phenylpropan-2-amine,1s,2s-2-diphenylphosphino-1-methyl-2-phenylethylamine,1s,2s-2-amino-1-phenylpropyl diphenylphosphane,1s,2s-1-diphenylphosphino-1-phenyl-2-propanamine,1s,2s-2-amino-1-phenylpropyldiphenylphosphine,min,s,s-+-2-amino-1-phenylpropyldiphenylphosphine,1s,2s-2-amino-1-phenylpropyl diphenylphosphine, kanata purity
IUPAC Name (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine
InChI Key JWZAIGGNEGTDMG-AURADERDNA-N
Molecular Formula C21H22NP
13

1-Eth-1-ynyl-4-propylbenzene, 97%, Thermo Scientific™

CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

PubChem CID 2775133
CAS 62452-73-7
Molecular Weight (g/mol) 144.217
MDL Number MFCD00173886
SMILES CCCC1=CC=C(C=C1)C#C
Synonym 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene
IUPAC Name 1-ethynyl-4-propylbenzene
InChI Key UVFFOABHOIMLNB-UHFFFAOYSA-N
Molecular Formula C11H12
14

3,5-Di-tert-butyl-4-hydroxybenzoic acid, 98%

CAS: 1421-49-4 Molecular Formula: C30H42NiO6 Molecular Weight (g/mol): 557.35 MDL Number: MFCD00008827 InChI Key: VIUVLVWUWLHYGT-UHFFFAOYSA-L Synonym: 3,5-di-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-9f0i7yag34,3,5-di-t-butyl-4-hydroxybenzoic acid,3,5-bis-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-di-tert-butyl-4-hydroxy,3,5-di tert-butyl-4-hydroxybenzoic acid,3,5-di-tert-butyl-4-hydroxy benzoic acid,3,5-bis tert-butyl-4-hydroxybenzoic acid,pubchem15681 PubChem CID: 15007 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzoic acid SMILES: [Ni++].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O

PubChem CID 15007
CAS 1421-49-4
Molecular Weight (g/mol) 557.35
MDL Number MFCD00008827
SMILES [Ni++].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O
Synonym 3,5-di-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-9f0i7yag34,3,5-di-t-butyl-4-hydroxybenzoic acid,3,5-bis-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-di-tert-butyl-4-hydroxy,3,5-di tert-butyl-4-hydroxybenzoic acid,3,5-di-tert-butyl-4-hydroxy benzoic acid,3,5-bis tert-butyl-4-hydroxybenzoic acid,pubchem15681
IUPAC Name 3,5-ditert-butyl-4-hydroxybenzoic acid
InChI Key VIUVLVWUWLHYGT-UHFFFAOYSA-L
Molecular Formula C30H42NiO6