2-amino-4-methylbenzamide

• ChemBase ID: 87033
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: O=C(c1ccc(cc1N)C)N
• Canonical SMILES: Cc1ccc(c(c1)N)C(=O)N
• InChI: InChI=1S/C8H10N2O/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H2,10,11)
• InChIKey: RUHKZVAPXHIWJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methylbenzamide
• IUPAC Traditional name: 2-amino-4-methylbenzamide
• Synonyms: 2-amino-4-methylbenzamide

Database IDs

• CAS Number: 39549-79-6
• MDL Number: MFCD00221474
• PubChem SID: 162074149
• PubChem CID: 2801474

CALCULATED PROPERTIES

• Acid pKa: 15.196896
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1568748
• LogD (pH = 7.4): 1.1583625
• Log P: 1.1583816
• Molar Refractivity: 44.878 cm^3
• Polarizability: 16.06619 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%