beta-(1-Bromo-2-naphthyl)alanine

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Basic information

CAS: 58161-15-2
Standard SMILES: NC(Cc1ccc2ccccc2c1Br)C(=O)O
InChIKey: MKLJUWDSHVRLCX-UHFFFAOYSA-N
Molecular formula: C13H12BrNO2
Average molar mass: 294.14 g/mol
Monoisotopic mass: 293.00514072

Names & identifiers

Preferred name: beta-(1-Bromo-2-naphthyl)alanine
IUPAC: 2-amino-3-(1-bromonaphthalen-2-yl)propanoic acid

Names & synonyms

beta-(1-Bromo-2-naphthyl)alanine58161-15-2RefChem:11915192634-96-32-Naphthalenepropanoic acid, alpha-amino-1-bromo-, (+-)-NSC280305SCHEMBL5295117CHEMBL3272604DTXSID309737333-(1-Bromonaphthalen-2-yl)alanineNSC-280305DS-004288

Show more names

2-Naphthalenepropanoicacid, a-amino-1-bromo-

Database identifiers

CAS: 58161-15-2、92634-96-3
PubChem CID: 322484
DTXSID: DTXSID30973733
ChEMBL: CHEMBL3272604

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 285

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Compound notes

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