2-(methylamino)benzamide

• ChemBase ID: 8682
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(c(cccc1)C(=O)N)NC
• Canonical SMILES: CNc1ccccc1C(=O)N
• InChI: InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)
• InChIKey: KTDNXQLRLSPQOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)benzamide
• IUPAC Traditional name: 2-(methylamino)benzamide
• Synonyms: 2-Methylaminobenzamide; 2-(methylamino)benzamide

Database IDs

• CAS Number: 7505-81-9
• MDL Number: MFCD00025469
• PubChem SID: 160971989
• PubChem CID: 101222

CALCULATED PROPERTIES

• Acid pKa: 14.920845
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.94583035
• LogD (pH = 7.4): 0.9466537
• Log P: 0.9466642
• Molar Refractivity: 45.3302 cm^3
• Polarizability: 16.141754 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161-163°C
• Hydrophobicity(logP): 0.9

Safety Information

• TSCA Listed: false

Product Information

• Purity: 95%; 98%