CAS 864182-43-4|(RS)-2-(氨甲基)-3-苯基丙酸甲酯盐酸盐|Methyl α-(aminomethyl)benzenepropanoate hydrochloride|3-氨基-2-苄基丙酸甲酯盐酸盐|2-苄基-β-丙氨酸甲酯盐酸盐|Methyl 3-amino-2-benzylpropionat...

General Information

Structure

Molecular Formula

C₁₁H₁₆ClNO₂

Molecular Mass

229.70324

Exact Mass

229.08695644

Charge

InChI

InChI=1S/C11H15NO2.ClH/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H

InChIKey

LDJFZHXXSXJPDR-UHFFFAOYSA-N

Canonic Smiles

NCC(C(=O)OC)Cc1ccccc1.Cl

Isomeric Smiles

COC(=O)C(Cc1ccccc1)CN.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5802583

LogD (pH = 7.4)

-0.3684426

Log P

1.3567902

Molar Refractivity

54.7424

Polarizability

21.82539

Polar Surface Area

52.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(RS)-2-(氨甲基)-3-苯基丙酸甲酯盐酸盐Methyl α-(aminomethyl)benzenepropanoate hydrochloride3-氨基-2-苄基丙酸甲酯盐酸盐Methyl 3-amino-2-benzylpropionate hydrochloride2-苄基-β-丙氨酸甲酯盐酸盐α-(氨基甲基)-苯丙酸甲酯盐酸盐Methyl (RS)-2-(aminomethyl)-3-phenylpropionate hydrochloride2-Benzyl-β-alanine methyl ester hydrochloride

IUPAC Traditional name

methyl 3-amino-2-benzylpropanoate hydrochloride

IUPAC name

methyl 3-amino-2-benzylpropanoate hydrochloride

Names and Identifiers

Registration numbers

CAS Number

864182-43-4

MDL Number

MFCD06740371

PubChem SID

162230504