N-methyl-4-[(methylamino)methyl]benzamide hydrochloride

• ChemBase ID: 250359
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)(c1ccc(cc1)CNC)NC.Cl
• Canonical SMILES: CNCc1ccc(cc1)C(=O)NC.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-11-7-8-3-5-9(6-4-8)10(13)12-2;/h3-6,11H,7H2,1-2H3,(H,12,13);1H
• InChIKey: YLZLKQJQGDLSDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[(methylamino)methyl]benzamide hydrochloride
• IUPAC Traditional name: N-methyl-4-[(methylamino)methyl]benzamide hydrochloride
• Synonyms: N-methyl-4-[(methylamino)methyl]benzamide hydrochloride

Database IDs

• MDL Number: MFCD07345664
• PubChem SID: 164306269
• PubChem CID: 16255217

CALCULATED PROPERTIES

• Acid pKa: 14.85169
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5604923
• LogD (pH = 7.4): -1.4325421
• Log P: 0.605911
• Molar Refractivity: 53.2811 cm^3
• Polarizability: 20.205256 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.229

Product Information

• Purity: 95%
• Salt Data: HCl