2-methylbenzene-1-carboximidamide

• ChemBase ID: 797884
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: c1(c(cccc1)C)C(=N)N
• Canonical SMILES: NC(=N)c1ccccc1C
• InChI: InChI=1S/C8H10N2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H3,9,10)
• InChIKey: GLPDBPGNFRRABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbenzene-1-carboximidamide
• IUPAC Traditional name: 2-methylbenzenecarboximidamide
• Synonyms: 2-Methyl-benzamidine

Database IDs

• CAS Number: 18636-97-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0082561
• LogD (pH = 7.4): -1.003034
• Log P: 1.4071357
• Molar Refractivity: 52.7717 cm^3
• Polarizability: 15.795933 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%