2-amino-6-methylbenzamide

• ChemBase ID: 254947
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(C(=O)N)c(N)cccc1C
• Canonical SMILES: NC(=O)c1c(C)cccc1N
• InChI: InChI=1S/C8H10N2O/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
• InChIKey: IYKKLCLIASEVDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methylbenzamide
• IUPAC Traditional name: 2-amino-6-methylbenzamide
• Synonyms: 2-amino-6-methylbenzamide

Database IDs

• MDL Number: MFCD09729171
• PubChem SID: 164310857
• PubChem CID: 16782469

CALCULATED PROPERTIES

• Acid pKa: 15.289592
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1566765
• LogD (pH = 7.4): 1.15836
• Log P: 1.1583816
• Molar Refractivity: 44.878 cm^3
• Polarizability: 16.067118 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 0.507

Product Information

• Purity: 95%