quinazolin-5-amine

• ChemBase ID: 802353
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1ccc2ncncc2c1N
• Canonical SMILES: Nc1cccc2c1cncn2
• InChI: InChI=1S/C8H7N3/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H,9H2
• InChIKey: KWHDQPVGKVPPPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinazolin-5-amine
• IUPAC Traditional name: quinazolin-5-amine
• Synonyms: QUINAZOLIN-5-AMINE

Database IDs

• CAS Number: 101421-71-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.56738424
• LogD (pH = 7.4): 0.59576166
• Log P: 0.59613657
• Molar Refractivity: 43.5009 cm^3
• Polarizability: 17.217808 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%