(2R)-2-amino-3-chloropropanoic acid

• ChemBase ID: 106962
• Molecular Formular: C3H6ClNO2
• Molecular Mass: 123.53824
• Monoisotopic Mass: 123.00870612
• SMILES: N[C@@H](CCl)C(=O)O
• Canonical SMILES: N[C@H](C(=O)O)CCl
• InChI: InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
• InChIKey: ASBJGPTTYPEMLP-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-chloropropanoic acid
• IUPAC Traditional name: 3-chloro-L-alanine
• Synonyms: β-CHLORO-L-ALANINE; 3-Chloro-L-alanine-15N; (R)-2-AMino-3-chloropropanoic acid; 3-氯-L-丙氨酸-15N

Database IDs

• CAS Number: 2731-73-9
• MDL Number: MFCD00046536
• PubChem SID: 162090118
• PubChem CID: 439772

CALCULATED PROPERTIES

• Acid pKa: 1.7038734
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5330448
• LogD (pH = 7.4): -2.5628076
• Log P: -2.5328991
• Molar Refractivity: 25.092 cm^3
• Polarizability: 10.291165 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156-157 °C(lit.)

Product Information

• Purity: 98%
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 124.51 by atom % calculation
• Linear Formula: ClCH2CH(15NH2)CO2H

DETAILS

MP Biomedicals - 05202067

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 609234

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.