2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine dihydrochloride

• ChemBase ID: 261412
• Molecular Formular: C14H17Cl2N3
• Molecular Mass: 298.21088
• Monoisotopic Mass: 297.07995292
• SMILES: n1c(ncc2c1CCC(C2)N)c1ccccc1.Cl.Cl
• Canonical SMILES: NC1CCc2c(C1)cnc(n2)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C14H15N3.2ClH/c15-12-6-7-13-11(8-12)9-16-14(17-13)10-4-2-1-3-5-10;;/h1-5,9,12H,6-8,15H2;2*1H
• InChIKey: KCJCPHPJYATBJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine dihydrochloride
• IUPAC Traditional name: 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine dihydrochloride
• Synonyms: 2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine dihydrochloride

Database IDs

• MDL Number: MFCD12912881
• PubChem SID: 164317322
• PubChem CID: 45791793

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9387605
• LogD (pH = 7.4): -0.1811907
• Log P: 2.2469747
• Molar Refractivity: 78.5188 cm^3
• Polarizability: 26.85834 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 298 - 300°C
• Hydrophobicity(logP): 1.521

Product Information

• Purity: 95%