2-amino-5-methylbenzamide

• ChemBase ID: 286718
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: O=C(N)c1cc(C)ccc1N
• Canonical SMILES: Cc1ccc(c(c1)C(=O)N)N
• InChI: InChI=1S/C8H10N2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
• InChIKey: LLSGVPKOCZZLTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methylbenzamide
• IUPAC Traditional name: 2-amino-5-methylbenzamide
• Synonyms: 2-Amino-5-methylbenzamide

Database IDs

• CAS Number: 40545-33-3
• MDL Number: MFCD03428521
• PubChem SID: 180672249
• PubChem CID: 10329436

CALCULATED PROPERTIES

• Acid pKa: 15.011829
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1561683
• LogD (pH = 7.4): 1.1583536
• Log P: 1.1583816
• Molar Refractivity: 44.878 cm^3
• Polarizability: 16.065407 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%