Succinanilic acid

HCID 7598CAS 102-14-7

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Basic information

Standard SMILES: O=C(O)CCC(=O)Nc1ccccc1
InChIKey: KTFGFGGLCMGYTP-UHFFFAOYSA-N
Molecular formula: C10H11NO3
Average molar mass: 193.2 g/mol
Monoisotopic mass: 193.07389321

Overview

4-Anilino-4-oxobutanoic acid is an anilide.

Names & identifiers

Preferred name: Succinanilic acid
IUPAC: 4-anilino-4-oxobutanoic acid
English name: 4-Anilino-4-oxobutanoic Acid
Molecular formula: C10H11NO3
Molecular weight: 193.2

Names & synonyms

4-Anilino-4-oxobutanoic acidSuccinanilic acid4-Oxo-4-(phenylamino)butanoic acidN-Phenylsuccinamic acidSuccinic monoanilideSuccinic acid monoanilideBUTANOIC ACID, 4-OXO-4-(PHENYLAMINO)-N-Phenylbutanedioic acid monoamideNSC 56471UNII-L4V0G8222EBRN 2806264L4V0G8222E

Show more names

Butanedioic Acid AnilideN-Phenylsuccinamidic acid4-Oxo-4-anilinobutyric acid4-(anilino)-4-keto-butyric acid4-OXO-4-PHENYLAMINOBUTANOIC ACID4-Oxo-4-(phenylamino)butyric acid4-Oxo-4-(phenylamino)-butanoic Aci3-(N-Phenylcarbamoyl)propionic acid

NSC-56471SUCCINANILIC ACID [MI]DTXSID201445114-12-00-00468 (Beilstein Handbook Reference)L-000341257RefChem:186331DTXCID0067002102-14-7

Database identifiers

CAS: 102-14-7
PubChem CID: 7598
DTXSID: DTXSID20144511
ChEMBL: CHEMBL152730
ChEBI: CHEBI:173931
UNII: L4V0G8222E
Nikkaji: J5.005I

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 209

Physicochemical properties

Melting point: 144 · 144-146°C
Boiling point: 329.41 °C · 329.41°C (rough estimate)
Density: 1.2307 · 1.2307 (rough estimate)
refractive index: 1.53 · 1.5300 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: pK (25°) 4.69
color: White
EWG's Food Scores: 1 · 1
FDA UNII: 4 V0G8222E · L4V0G8222E
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099

Safety & regulation

Safety data

hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501