(4-methylquinazolin-2-yl)methanamine dihydrochloride

• ChemBase ID: 237248
• Molecular Formular: C10H13Cl2N3
• Molecular Mass: 246.13632
• Monoisotopic Mass: 245.04865279
• SMILES: n1c(c2c(nc1CN)cccc2)C.Cl.Cl
• Canonical SMILES: NCc1nc2ccccc2c(n1)C.Cl.Cl
• InChI: InChI=1S/C10H11N3.2ClH/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7;;/h2-5H,6,11H2,1H3;2*1H
• InChIKey: CDYKDYQYPSKUKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylquinazolin-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (4-methylquinazolin-2-yl)methanamine dihydrochloride
• Synonyms: (4-methylquinazolin-2-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD22369918
• PubChem SID: 164293158
• PubChem CID: 71755897

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.96310186
• LogD (pH = 7.4): 0.7321912
• Log P: 1.2339405
• Molar Refractivity: 51.3761 cm^3
• Polarizability: 21.238956 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.523

Product Information

• Purity: 95%