2-(chloromethyl)-5,6,7,8-tetrahydroquinazoline

• ChemBase ID: 801991
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: C1CCc2nc(ncc2C1)CCl
• Canonical SMILES: ClCc1ncc2c(n1)CCCC2
• InChI: InChI=1S/C9H11ClN2/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h6H,1-5H2
• InChIKey: POALUKMIGUHOPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5,6,7,8-tetrahydroquinazoline
• IUPAC Traditional name: 2-(chloromethyl)-5,6,7,8-tetrahydroquinazoline
• Synonyms: 2-(CHLOROMETHYL)-5,6,7,8-TETRAHYDROQUINAZOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4311907
• LogD (pH = 7.4): 2.4312127
• Log P: 2.431213
• Molar Refractivity: 49.1583 cm^3
• Polarizability: 18.691458 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%