CAS 13215-35-5|CAS 35401-46-8|2-amino-3-chloropropanoic acid hydrochloride|2-amino-3-chloropropanoic acid hydrochloride|3-Chloroalanine hydrochloride|β-Chloro-DL-alanine hydrochloride|DL-3-Chloroal...

General Information

Structure

Molecular Formula

C₃H₇Cl₂NO₂

Molecular Mass

159.99918

Exact Mass

158.98538383

Charge

InChI

InChI=1S/C3H6ClNO2.ClH/c4-1-2(5)3(6)7;/h2H,1,5H2,(H,6,7);1H

InChIKey

IENJPSDBNBGIEL-UHFFFAOYSA-N

Canonic Smiles

NC(C(=O)O)CCl.Cl

Isomeric Smiles

ClCC(N)C(=O)O.Cl

Calculated Properties

JChem

Acid pKa

1.7038734

H Acceptors

H Donor

LogD (pH = 5.5)

-2.5330448

LogD (pH = 7.4)

-2.5628076

Log P

-2.5328991

Molar Refractivity

25.092

Polarizability

10.291165

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-amino-3-chloropropanoic acid hydrochloride

IUPAC name

2-amino-3-chloropropanoic acid hydrochloride

Synonyms

3-Chloroalanine hydrochlorideβ-Chloro-DL-alanine hydrochlorideDL-3-Chloroalanine Hydrochlorideβ-Chloro-DL-alanine Hydrochlorideβ-Chloroalanine Hydrochloride3-Chloro-DL-alanine Hydrochloride3-Chloroalanine Hydrochlorideβ-Chloro-DL-alanine Hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00069581MFCD00066125

CAS Number

13215-35-535401-46-8

PubChem SID

162037324

PubChem CID

16219123

Registration numbers

Properties