CAS 2038-57-5|3-Phenylpropylamine|3-phenyl propylamine|3-phenylpropan-1-amine|3-Phenylpropylamine 98%|γ-PHENYLPROPYLAMINE|3-Phenylpropan-1-amine|3-Phenylpropylamine|γ-氨丙基苯|3-Phenyl-1-prop...

General Information

Structure

Molecular Formula

C₉H₁₃N

Molecular Mass

135.20622

Exact Mass

135.10479942

Charge

InChI

InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2

InChIKey

LYUQWQRTDLVQGA-UHFFFAOYSA-N

Canonic Smiles

NCCCc1ccccc1

Isomeric Smiles

NCCCc1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

-0.67

LogD (pH = 5.5)

-1.19

Log P

1.83

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

10.05

Polar Surface Area

26.02

Polarizability

16.41

Molar Refractivity

43.89

LOG S

-1.33

Data Source

Names and Identifiers

IUPAC name

3-phenylpropan-1-amine

Synonyms

3-Phenylpropylamine3-Phenylpropylamine 98%γ-PHENYLPROPYLAMINE3-Phenylpropan-1-amine3-Phenylpropylamineγ-氨丙基苯γ-Aminopropylbenzene3-Phenyl-1-propylamine3-苯基-1-丙胺3-苯基丙胺3-苯基丙胺3-Phenylpropylamine1-Amino-3-phenylpropane3-苯基丙基胺3-phenylpropanamine3-phenyl-1-propanaminegamma-phenyl-n-propylamine3-phenyl-n-propylaminegamma-phenylpropylaminehydrocinnamylamine3-aminopropylbenzene3-phenyl-1-aminopropane3-phenyl-1-propylaminebenzenepropanamine1-amino-3-phenylpropane3-phenylpropylamine

IUPAC Traditional name

3-phenyl propylamine

Names and Identifiers

Registration numbers

MDL Number

MFCD00008224

CAS Number

2038-57-5

PubChem SID

2489787516096743146506901405560166

PubChem CID

16259448752