quinazolin-7-amine

• ChemBase ID: 802352
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1c(cc2ncncc2c1)N
• Canonical SMILES: Nc1ccc2c(c1)ncnc2
• InChI: InChI=1S/C8H7N3/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H,9H2
• InChIKey: JBFKTGKPNDZSPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinazolin-7-amine
• IUPAC Traditional name: quinazolin-7-amine
• Synonyms: 7-QUINAZOLINAMINE

Database IDs

• CAS Number: 101421-73-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.555821
• LogD (pH = 7.4): 0.59560335
• Log P: 0.59613657
• Molar Refractivity: 43.5009 cm^3
• Polarizability: 17.215656 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%