Glycine, N-(3-nitrobenzoyl)-

HCID 94858

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Basic information

CAS: 617-10-7
Standard SMILES: O=C(O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIKey: GSVGZXWNWOCWGJ-UHFFFAOYSA-N
Molecular formula: C9H8N2O5
Average molar mass: 224.17 g/mol
Monoisotopic mass: 224.04332136

Names & identifiers

Preferred name: Glycine, N-(3-nitrobenzoyl)-
IUPAC: 2-[(3-nitrobenzoyl)amino]acetic acid
English name: (3-NITRO-BENZOYLAMINO)-ACETIC ACID
Molecular formula: C9H8N2O5
Molecular weight: 224.17

Names & synonyms

617-10-7Glycine, N-(3-nitrobenzoyl)-n-(3-nitrobenzoyl)glycineNSC 5409RefChem:346482GSVGZXWNWOCWGJ-UHFFFAOYSA-N(3-Nitro-benzoylamino)-acetic acid2-(3-Nitrobenzamido)acetic acid2-[(3-nitrobenzoyl)amino]acetic acid2-[(3-nitrophenyl)formamido]acetic acidNSC-5409MFCD00024503

Show more names

3-NITROHIPPURIC ACID

N-[(3-nitrophenyl)carbonyl]glycinem-nitrohippuric acidm-NitrohippursaureNSC54093-nitrobenzoyl glycine3-nitro-benzoyl glycineOprea1_80367465MH9U5ST7

Database identifiers

CAS: 617-10-7
PubChem CID: 94858
DTXSID: DTXSID70977270
ChEMBL: CHEMBL414823
UNII: 65MH9U5ST7
EC Number: 993-030-7
Nikkaji: J95.684H

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 112 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 299

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.