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

• ChemBase ID: 60215
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(c1ccc(cc1)CNC)NC
• Canonical SMILES: CNCc1ccc(cc1)C(=O)NC
• InChI: InChI=1S/C10H14N2O/c1-11-7-8-3-5-9(6-4-8)10(13)12-2/h3-6,11H,7H2,1-2H3,(H,12,13)
• InChIKey: HTIKDJFBVIISPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07366392
• PubChem SID: 162025956
• PubChem CID: 7130979

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

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 0.229

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%