5,6,7,8-tetrahydroquinazolin-4-ol

• ChemBase ID: 243924
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c12c(ncnc1CCCC2)O
• Canonical SMILES: Oc1ncnc2c1CCCC2
• InChI: InChI=1S/C8H10N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h5H,1-4H2,(H,9,10,11)
• InChIKey: VLGSBIJEQBQFCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydroquinazolin-4-ol
• IUPAC Traditional name: 5,6,7,8-tetrahydroquinazolin-4-ol
• Synonyms: 5,6,7,8-tetrahydroquinazolin-4-ol

Database IDs

• MDL Number: MFCD01749933
• PubChem SID: 164299834
• PubChem CID: 63746

CALCULATED PROPERTIES

• Acid pKa: 12.888417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6667902
• LogD (pH = 7.4): 1.6667963
• Log P: 1.6667979
• Molar Refractivity: 42.0751 cm^3
• Polarizability: 15.6375 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 1.881

Product Information

• Purity: 95%