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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

4-(tert-Butyl)benzylbromide, 97%

CAS: 18880-00-7 Formule moléculaire: C11H15Br Poids moléculaire (g/mol): 227.14 Numéro MDL: MFCD00000180 Clé InChI: QZNQSIHCDAGZIA-UHFFFAOYSA-N Synonyme: 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide CID PubChem: 87836 Nom IUPAC: 1-(bromomethyl)-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)CBr

Poids moléculaire (g/mol) 227.14
Synonyme 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide
Numéro MDL MFCD00000180
CAS 18880-00-7
CID PubChem 87836
Nom IUPAC 1-(bromomethyl)-4-tert-butylbenzene
Clé InChI QZNQSIHCDAGZIA-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)CBr
Formule moléculaire C11H15Br
2

2-Bromophenylacetone, 99%

CAS: 21906-31-0 Formule moléculaire: C9H9BrO Poids moléculaire (g/mol): 213.08 Numéro MDL: MFCD03410431 Clé InChI: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonyme: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 CID PubChem: 2734092 Nom IUPAC: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br

Poids moléculaire (g/mol) 213.08
Synonyme 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388
Numéro MDL MFCD03410431
CAS 21906-31-0
CID PubChem 2734092
Nom IUPAC 1-(2-bromophenyl)propan-2-one
Clé InChI TZIAZLUAMDLDJF-UHFFFAOYSA-N
SMILES CC(=O)CC1=CC=CC=C1Br
Formule moléculaire C9H9BrO
3

1-Phenyl-2-propanol, 98%

CAS: 14898-87-4 Formule moléculaire: C9H12O Poids moléculaire (g/mol): 136.19 Numéro MDL: MFCD00004540 Clé InChI: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonyme: 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol CID PubChem: 94185 Nom IUPAC: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1

Poids moléculaire (g/mol) 136.19
Synonyme 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol
Numéro MDL MFCD00004540
CAS 14898-87-4
CID PubChem 94185
Nom IUPAC 1-phenylpropan-2-ol
Clé InChI WYTRYIUQUDTGSX-UHFFFAOYNA-N
SMILES CC(O)CC1=CC=CC=C1
Formule moléculaire C9H12O
4

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

CAS: 17797-11-4 Formule moléculaire: C9H12ClN Poids moléculaire (g/mol): 169.65 Numéro MDL: MFCD08669636 Clé InChI: JCUUNSQUTQELEZ-UHFFFAOYSA-N Synonyme: 2-4-chlorophenyl propan-2-amine,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl,4-chloro-alpha,alpha-dimethylbenzylamine,2-4-chlorophenyl prop-2-ylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a, CID PubChem: 11030256 Nom IUPAC: 2-(4-chlorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(Cl)C=C1

Poids moléculaire (g/mol) 169.65
Synonyme 2-4-chlorophenyl propan-2-amine,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl,4-chloro-alpha,alpha-dimethylbenzylamine,2-4-chlorophenyl prop-2-ylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,
Numéro MDL MFCD08669636
CAS 17797-11-4
CID PubChem 11030256
Nom IUPAC 2-(4-chlorophenyl)propan-2-amine
Clé InChI JCUUNSQUTQELEZ-UHFFFAOYSA-N
SMILES CC(C)(N)C1=CC=C(Cl)C=C1
Formule moléculaire C9H12ClN
5

4-Bromophenylacetone, 97%

CAS: 6186-22-7 Formule moléculaire: C24H24N2O5S Poids moléculaire (g/mol): 452.53 Numéro MDL: MFCD00210401 Clé InChI: CDUPPXGKUKTGLU-UHFFFAOYSA-N Synonyme: 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone CID PubChem: 736332 SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1

Poids moléculaire (g/mol) 452.53
Synonyme 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone
Numéro MDL MFCD00210401
CAS 6186-22-7
CID PubChem 736332
Clé InChI CDUPPXGKUKTGLU-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1
Formule moléculaire C24H24N2O5S
6

1-Bromo-4-n-propylbenzene, 99%

CAS: 588-93-2 Formule moléculaire: C9H11Br Poids moléculaire (g/mol): 199.091 Numéro MDL: MFCD00012456 Clé InChI: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonyme: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 CID PubChem: 136374 Nom IUPAC: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br

Poids moléculaire (g/mol) 199.091
Synonyme 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762
Numéro MDL MFCD00012456
CAS 588-93-2
CID PubChem 136374
Nom IUPAC 1-bromo-4-propylbenzene
Clé InChI NUPWGLKBGVNSJX-UHFFFAOYSA-N
SMILES CCCC1=CC=C(C=C1)Br
Formule moléculaire C9H11Br
7

2-tert-Butyltoluene, 99%

CAS: 1074-92-6 Formule moléculaire: C11H16 Poids moléculaire (g/mol): 148.249 Numéro MDL: MFCD00059209 Clé InChI: AXHVNJGQOJFMHT-UHFFFAOYSA-N CID PubChem: 33712 Nom IUPAC: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C

Poids moléculaire (g/mol) 148.249
Numéro MDL MFCD00059209
CAS 1074-92-6
CID PubChem 33712
Nom IUPAC 1-tert-butyl-2-methylbenzene
Clé InChI AXHVNJGQOJFMHT-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1C(C)(C)C
Formule moléculaire C11H16
8

alpha,alpha-Dimethylbenzylamine, 96%

CAS: 585-32-0 Formule moléculaire: C9H13N Poids moléculaire (g/mol): 135.21 Numéro MDL: MFCD00134680 Clé InChI: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonyme: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine CID PubChem: 68509 Nom IUPAC: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1

Poids moléculaire (g/mol) 135.21
Synonyme cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine
Numéro MDL MFCD00134680
CAS 585-32-0
CID PubChem 68509
Nom IUPAC 2-phenylpropan-2-amine
Clé InChI KDFDOINBXBEOLZ-UHFFFAOYSA-N
SMILES CC(C)(N)C1=CC=CC=C1
Formule moléculaire C9H13N
9

1-(2-Fluorophenyl)-2-propylamine, 97%

CAS: 1716-60-5 Formule moléculaire: C9H12FN Poids moléculaire (g/mol): 153.20 Numéro MDL: MFCD01708100 Clé InChI: GDSXNLDTQFFIEU-UHFFFAOYNA-N Synonyme: 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride CID PubChem: 121531 Nom IUPAC: 1-(2-fluorophenyl)propan-2-amine SMILES: CC(N)CC1=CC=CC=C1F

Poids moléculaire (g/mol) 153.20
Synonyme 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride
Numéro MDL MFCD01708100
CAS 1716-60-5
CID PubChem 121531
Nom IUPAC 1-(2-fluorophenyl)propan-2-amine
Clé InChI GDSXNLDTQFFIEU-UHFFFAOYNA-N
SMILES CC(N)CC1=CC=CC=C1F
Formule moléculaire C9H12FN
10

2-Phenyl-2-propanol, 99%

CAS: 617-94-7 Formule moléculaire: C9H12O Poids moléculaire (g/mol): 136.19 Numéro MDL: MFCD00004456 Clé InChI: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonyme: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol CID PubChem: 12053 Nom IUPAC: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

Poids moléculaire (g/mol) 136.19
Synonyme 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
Numéro MDL MFCD00004456
CAS 617-94-7
CID PubChem 12053
Nom IUPAC 2-phenylpropan-2-ol
Clé InChI BDCFWIDZNLCTMF-UHFFFAOYSA-N
SMILES CC(C)(O)C1=CC=CC=C1
Formule moléculaire C9H12O
11

1-(4-tert-Butylbenzyl)piperazine, 97%, Thermo Scientific™

CAS: 956-61-6 Formule moléculaire: C15H24N2 Poids moléculaire (g/mol): 232.37 Numéro MDL: MFCD00082594 Clé InChI: UQLCETYSARZZSR-UHFFFAOYSA-N Synonyme: 1-4-tert-butylbenzyl piperazine,1-4-tert-butyl benzyl piperazine,1-4-tert-butylphenyl methyl piperazine,piperazine, 1-4-1,1-dimethylethyl phenyl methyl,4-tert-butyl phenyl methyl piperazine,1-4-t-butylbenzyl piperazine,1-4-tert-butyl-benzyl-piperazine CID PubChem: 2735657 Nom IUPAC: 1-[(4-tert-butylphenyl)methyl]piperazine SMILES: CC(C)(C)C1=CC=C(CN2CCNCC2)C=C1

Poids moléculaire (g/mol) 232.37
Synonyme 1-4-tert-butylbenzyl piperazine,1-4-tert-butyl benzyl piperazine,1-4-tert-butylphenyl methyl piperazine,piperazine, 1-4-1,1-dimethylethyl phenyl methyl,4-tert-butyl phenyl methyl piperazine,1-4-t-butylbenzyl piperazine,1-4-tert-butyl-benzyl-piperazine
Numéro MDL MFCD00082594
CAS 956-61-6
CID PubChem 2735657
Nom IUPAC 1-[(4-tert-butylphenyl)methyl]piperazine
Clé InChI UQLCETYSARZZSR-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(CN2CCNCC2)C=C1
Formule moléculaire C15H24N2
12

4-tert-Butyltoluene, 95%

CAS: 98-51-1 Formule moléculaire: C11H16 Poids moléculaire (g/mol): 148.249 Numéro MDL: MFCD00008837 Clé InChI: QCWXDVFBZVHKLV-UHFFFAOYSA-N Synonyme: 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene CID PubChem: 7390 Nom IUPAC: 1-tert-butyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)C(C)(C)C

Poids moléculaire (g/mol) 148.249
Synonyme 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene
Numéro MDL MFCD00008837
CAS 98-51-1
CID PubChem 7390
Nom IUPAC 1-tert-butyl-4-methylbenzene
Clé InChI QCWXDVFBZVHKLV-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C(C)(C)C
Formule moléculaire C11H16
13

4,4'-Isopropylidenediphenol, 97%

CAS: 80-05-7 Formule moléculaire: C15H16O2 Poids moléculaire (g/mol): 228.29 Numéro MDL: MFCD00002366 Clé InChI: IISBACLAFKSPIT-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 6623 ChEBI: CHEBI:33216 Nom IUPAC: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

Poids moléculaire (g/mol) 228.29
Synonyme 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
Numéro MDL MFCD00002366
CAS 80-05-7
CID PubChem 6623
ChEBI CHEBI:33216
Nom IUPAC 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Clé InChI IISBACLAFKSPIT-UHFFFAOYSA-N
SMILES CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Formule moléculaire C15H16O2
14

1-Bromo-4-tert-butylbenzene, 97%

CAS: 3972-65-4 Formule moléculaire: C10H13Br Poids moléculaire (g/mol): 213.118 Numéro MDL: MFCD00000108 Clé InChI: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonyme: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene CID PubChem: 77595 Nom IUPAC: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br

Poids moléculaire (g/mol) 213.118
Synonyme 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene
Numéro MDL MFCD00000108
CAS 3972-65-4
CID PubChem 77595
Nom IUPAC 1-bromo-4-tert-butylbenzene
Clé InChI XHCAGOVGSDHHNP-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)Br
Formule moléculaire C10H13Br
15

alpha-Isopropylphenylacetic acid, 97%

CAS: 3508-94-9 Formule moléculaire: C11H14O2 Poids moléculaire (g/mol): 178.231 Numéro MDL: MFCD00021708 Clé InChI: HDLQGISFYDYWFJ-UHFFFAOYSA-N Synonyme: alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid CID PubChem: 19024 Nom IUPAC: 3-methyl-2-phenylbutanoic acid SMILES: CC(C)C(C1=CC=CC=C1)C(=O)O

Poids moléculaire (g/mol) 178.231
Synonyme alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid
Numéro MDL MFCD00021708
CAS 3508-94-9
CID PubChem 19024
Nom IUPAC 3-methyl-2-phenylbutanoic acid
Clé InChI HDLQGISFYDYWFJ-UHFFFAOYSA-N
SMILES CC(C)C(C1=CC=CC=C1)C(=O)O
Formule moléculaire C11H14O2