quinazolin-8-amine

• ChemBase ID: 804554
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1cc(c2ncncc2c1)N
• Canonical SMILES: Nc1cccc2c1ncnc2
• InChI: InChI=1S/C8H7N3/c9-7-3-1-2-6-4-10-5-11-8(6)7/h1-5H,9H2
• InChIKey: PDLQGOYYXRNZOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinazolin-8-amine
• IUPAC Traditional name: quinazolin-8-amine
• Synonyms: QUINAZOLIN-8-AMINE

Database IDs

• CAS Number: 101421-74-3

CALCULATED PROPERTIES

• Acid pKa: 19.29259
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59570616
• LogD (pH = 7.4): 0.59613115
• Log P: 0.59613657
• Molar Refractivity: 43.5009 cm^3
• Polarizability: 17.224371 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%