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

• ChemBase ID: 123812
• Molecular Formular: C10H16ClN3O
• Molecular Mass: 229.70654
• Monoisotopic Mass: 229.09818983
• SMILES: C(=O)(Nc1cc(N)ccc1)CN(C)C.Cl
• Canonical SMILES: CN(CC(=O)Nc1cccc(c1)N)C.Cl
• InChI: InChI=1S/C10H15N3O.ClH/c1-13(2)7-10(14)12-9-5-3-4-8(11)6-9;/h3-6H,7,11H2,1-2H3,(H,12,14);1H
• InChIKey: MWMQBDCOPJCVDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-(dimethylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(3-aminophenyl)-2-(dimethylamino)acetamide hydrochloride
• Synonyms: N-(3-aminophenyl)-2-(dimethylamino)acetamide hydrochloride

Database IDs

• PubChem SID: 162218165
• PubChem CID: 45596898

CALCULATED PROPERTIES

• Acid pKa: 13.437857
• 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
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl