8-methoxyquinazolin-2-amine

• ChemBase ID: 67082
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: n1c(ncc2cccc(c12)OC)N
• Canonical SMILES: COc1cccc2c1nc(N)nc2
• InChI: InChI=1S/C9H9N3O/c1-13-7-4-2-3-6-5-11-9(10)12-8(6)7/h2-5H,1H3,(H2,10,11,12)
• InChIKey: HZZMAAQLRLRCAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinazolin-2-amine
• IUPAC Traditional name: 8-methoxyquinazolin-2-amine
• Synonyms: 2-Amino-8-methoxyquinazoline; 8-Methoxyquinazolin-2-aMine

Database IDs

• CAS Number: 708-15-6
• MDL Number: MFCD09999246
• PubChem SID: 162032818
• PubChem CID: 16748215

CALCULATED PROPERTIES

• Log P: 1.1172514
• Molar Refractivity: 49.9101 cm^3
• Polarizability: 19.71247 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 17.565807
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1145312
• LogD (pH = 7.4): 1.117217

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%