N-(2-(Diethylamino)ethyl)-4-(hydroxyamino)benzamide
Basic information
- CAS
95576-27-5- Standard SMILES
CCN(CC)CCNC(=O)c1ccc(NO)cc1- InChIKey
JBFULHOJGOVPTK-UHFFFAOYSA-N- Molecular formula
- C13H21N3O2
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.16337692
Overview
Procainamide 4-hydroxylamine is a benzamide obtained via formal condensation of 4-hydroxylaminobenzoic acid and 2-(diethylamino)ethylamine; a metabolite in liver microsomes. It has a role as a drug metabolite. It is a member of benzamides and a member of hydroxylamines.
Names & identifiers
- Preferred name
- N-(2-(Diethylamino)ethyl)-4-(hydroxyamino)benzamide
- IUPAC
- N-[2-(diethylamino)ethyl]-4-(hydroxyamino)benzamide
- English name
- procainamide 4-hydroxylamine
- Molecular formula
- C13H21N3O2
- Molecular weight
- 251.32
Names & synonyms
Procainamide 4-hydroxylamine95576-27-5N-[2-(diethylamino)ethyl]-4-(hydroxyamino)benzamidepara-Hydroxylamine procainamideN-(2-(Diethylamino)ethyl)-4-(hydroxyamino)benzamide4-Hydroxylamino-N,N-diethylaminoethylbenzamideCHEBI:60726DTXSID50241885RefChem:176106DTXCID80164376procainamide hydroxylamineBenzamide, N-[2-(diethylamino)ethyl]-4-(hydroxyamino)-
Show more names
Benzamide, N-(2-(diethylamino)ethyl)-4-(hydroxyamino)-Epitope ID:140119AKOS005266662A11045Q27128566
Database identifiers
- CAS
95576-27-5- PubChem CID
- 125600
- DTXSID
DTXSID50241885- ChEBI
CHEBI:60726- Nikkaji
- J401.588F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.70(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: A benzamide obtained via formal condensation of 4-hydroxylaminobenzoic acid and 2-(diethylamino)ethylamine; a metabolite in liver microsomes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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