butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt

HCID 60580

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Basic information

CAS: 112997-60-1
Standard SMILES: O=C([O-])CCC(=O)Nc1ccccc1.[NH4+]
InChIKey: DDUXGSQMKITHGC-UHFFFAOYSA-N
Molecular formula: C10H14N2O3
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.10044231

Names & identifiers

Preferred name: butanoic acid, 4-oxo-4-(phenylamino)-, monoammonium salt
IUPAC: azanium 4-anilino-4-oxobutanoate

Names & synonyms

Succinanilic acid monoammonium saltBUTANOIC ACID, 4-OXO-4-(PHENYLAMINO)-, MONOAMMONIUM SALT4-Oxo-4-(phenylamino)butanoic acid monoammonium salt112997-60-1DTXSID10150247RefChem:330920DTXCID4072738Ammonium 4-anilino-4-oxobutanoate

Database identifiers

CAS: 112997-60-1
PubChem CID: 60580
DTXSID: DTXSID10150247

Properties

Computed structural properties

Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 204

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