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35005-61-9

35005-61-9 Structure

35005-61-9 Structure
IdentificationBack Directory
[Name]

3-AMINO-3-(4-NITROPHENYL)PROPIONIC ACID
[CAS]

35005-61-9
[Synonyms]

3-Amino-3-(4-nitrophenyL
N-(4-Nitrophenyl)-β-alanine
β-Alanine, N-(4-nitrophenyl)-
N-(4-nitrophenyl)-beta-alanine
3-(4-Nitroanilino)propionic acid
3-(4-nitroanilino)propanoic acid
3-Amino-3-(4-nitrophenyl)propionic acid 95%
3-AMINO-3-(4-NITROPHENYL)PROPIONIC ACID USP/EP/BP
[EINECS(EC#)]

252-316-5
[Molecular Formula]

C9H10N2O4
[MDL Number]

MFCD00187210
[MOL File]

35005-61-9.mol
[Molecular Weight]

210.19
Chemical PropertiesBack Directory
[Melting point ]

215 °C (dec.)
[form ]

solid
[Major Application]

peptide synthesis
[InChI]

1S/C9H10N2O4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
[InChIKey]

JVQPVKJZKRICRR-UHFFFAOYSA-N
[SMILES]

NC(CC(O)=O)c1ccc(cc1)[N+]([O-])=O
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

peptide synthesis
[reaction suitability]

reaction type: solution phase peptide synthesis
[Purification Methods]

The acid crystallises from 50% aqueous EtOH. The hydrochloride has m 218-220o(dec). The N-benzoyl derivative has m 204-205o (from MeOH) and the N-benzoyl-hydrazide has m 226-227o (from MeOH or EtOH). [Posner Justus Liebigs Ann Chem 389 44 1912, Beilstein 14 I 603, 14 IV 1548.]
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