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2-Chlorohistidine

HCID 124397
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Basic information

CAS
126663-37-4
Standard SMILES
N[C@@H](Cc1cnc(Cl)[nH]1)C(=O)O
InChIKey
RJHXBCPMXIGGCP-BYPYZUCNSA-N
Molecular formula
C6H8ClN3O2
Average molar mass
189.602 g/mol
Monoisotopic mass
189.03050418

Names & identifiers

Preferred name
2-Chlorohistidine
IUPAC
2-Chloro-L-histidine
English name
2-chlorohistidine
Molecular formula
C6H8ClN3O2
Molecular weight
189.6

Names & synonyms

2-chlorohistidineHistidine Impurity 29L-Histidine, 2-chloro-

Database identifiers

CAS
126663-37-4
PubChem CID
124397
DTXSID
DTXSID00925663

Properties

Physicochemical properties

Boiling point
456.6 · 456.6±55.0 °C(Predicted)
Density
1.567 · 1.567±0.06 g/cm3(Predicted)
pka
1.85 · 1.85±0.10(Predicted)

Related reactions

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Compound notes

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