(quinazolin-2-yl)methanamine

• ChemBase ID: 803789
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: C(N)c1nc2ccccc2cn1
• Canonical SMILES: NCc1ncc2c(n1)cccc2
• InChI: InChI=1S/C9H9N3/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6H,5,10H2
• InChIKey: JAEZQIWWKRSGEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (quinazolin-2-yl)methanamine
• IUPAC Traditional name: quinazolin-2-ylmethanamine
• Synonyms: 1-QUINAZOLIN-2-YLMETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1576624
• LogD (pH = 7.4): 0.53614223
• Log P: 1.0332127
• Molar Refractivity: 46.7846 cm^3
• Polarizability: 19.476267 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%