5-amino-2-hydroxy-N,N-dimethylbenzamide

• ChemBase ID: 309414
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1(C(=O)N(C)C)c(ccc(c1)N)O
• Canonical SMILES: CN(C(=O)c1cc(N)ccc1O)C
• InChI: InChI=1S/C9H12N2O2/c1-11(2)9(13)7-5-6(10)3-4-8(7)12/h3-5,12H,10H2,1-2H3
• InChIKey: IDCKXADBLINSNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-hydroxy-N,N-dimethylbenzamide
• IUPAC Traditional name: 5-amino-2-hydroxy-N,N-dimethylbenzamide
• Synonyms: 5-amino-2-hydroxy-N,N-dimethylbenzamide

Database IDs

• CAS Number: 862853-55-2
• MDL Number: MFCD14702915

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.75707924
• LogD (pH = 7.4): 0.7785038
• Log P: 0.78874695
• Molar Refractivity: 51.6111 cm^3
• Polarizability: 18.605324 Å^3
• Polar Surface Area: 66.56 Å^2