quinazolin-6-amine

• ChemBase ID: 288262
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: Nc1cc2cncnc2cc1
• Canonical SMILES: Nc1ccc2c(c1)cncn2
• InChI: InChI=1S/C8H7N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H,9H2
• InChIKey: XFGPXURFKAUHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinazolin-6-amine
• IUPAC Traditional name: quinazolin-6-amine
• Synonyms: Quinazolin-6-amine; 6-AMINOQUINAZOLINE

Database IDs

• CAS Number: 101421-72-1
• MDL Number: MFCD10697883
• PubChem SID: 180673793
• PubChem CID: 589288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.593836
• LogD (pH = 7.4): 0.59610754
• Log P: 0.59613657
• Molar Refractivity: 43.5009 cm^3
• Polarizability: 17.219517 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%