3-amino-N-[4-(dimethylamino)phenyl]propanamide

• ChemBase ID: 308261
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: C(=O)(Nc1ccc(N(C)C)cc1)CCN
• Canonical SMILES: NCCC(=O)Nc1ccc(cc1)N(C)C
• InChI: InChI=1S/C11H17N3O/c1-14(2)10-5-3-9(4-6-10)13-11(15)7-8-12/h3-6H,7-8,12H2,1-2H3,(H,13,15)
• InChIKey: GQUFBXDKLMHBCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-[4-(dimethylamino)phenyl]propanamide
• IUPAC Traditional name: 3-amino-N-[4-(dimethylamino)phenyl]propanamide
• Synonyms: N~1~-[4-(dimethylamino)phenyl]-beta-alaninamide

Database IDs

• CAS Number: 262614-49-3
• MDL Number: MFCD09726222

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3557222
• LogD (pH = 7.4): -1.0800279
• Log P: 0.6318829
• Molar Refractivity: 63.4087 cm^3
• Polarizability: 23.395844 Å^3
• Polar Surface Area: 58.36 Å^2