N-(3-aminophenyl)-2-(dimethylamino)acetamide

• ChemBase ID: 308016
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(Nc1cc(N)ccc1)CN(C)C
• Canonical SMILES: CN(CC(=O)Nc1cccc(c1)N)C
• InChI: InChI=1S/C10H15N3O/c1-13(2)7-10(14)12-9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3,(H,12,14)
• InChIKey: KYMQEQGMSAPIEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-(dimethylamino)acetamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-(dimethylamino)acetamide
• Synonyms: N~1~-(3-aminophenyl)-N~2~,N~2~-dimethylglycinamide

Database IDs

• CAS Number: 562826-95-3
• MDL Number: MFCD09739161

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4189785
• LogD (pH = 7.4): 0.06955847
• Log P: 0.27352872
• Molar Refractivity: 59.0504 cm^3
• Polarizability: 21.555931 Å^3
• Polar Surface Area: 58.36 Å^2