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2731-73-9 molecular structure
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(2R)-2-amino-3-chloropropanoic acid

ChemBase ID: 106962
Molecular Formular: C3H6ClNO2
Molecular Mass: 123.53824
Monoisotopic Mass: 123.00870612
SMILES and InChIs

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

Cite this record

CBID:106962 http://www.chembase.cn/molecule-106962.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
2731-73-9
MDL Number
MFCD00046536
PubChem SID
162090118
PubChem CID
439772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 439772 external link

CALCULATED PROPERTIES

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 cm3 Polarizability 10.291165 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
156-157 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Purity
98% expand Show data source
Isotopic Purity
98 atom % 15N expand Show data source
Certificate of Analysis
Download expand Show data source
Mol. Weight
mol wt 124.51 by atom % calculation expand Show data source
Linear Formula
ClCH2CH(15NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202067 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 609234 external link
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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