2-chloro-4-methyl-5,6,7,8-tetrahydroquinazoline

• ChemBase ID: 307359
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: c1(nc2c(c(n1)C)CCCC2)Cl
• Canonical SMILES: Clc1nc2CCCCc2c(n1)C
• InChI: InChI=1S/C9H11ClN2/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H2,1H3
• InChIKey: WUBUBHNBFMEVNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methyl-5,6,7,8-tetrahydroquinazoline
• IUPAC Traditional name: 2-chloro-4-methyl-5,6,7,8-tetrahydroquinazoline
• Synonyms: 2-chloro-4-methyl-5,6,7,8-tetrahydroquinazoline

Database IDs

• CAS Number: 83939-60-0
• MDL Number: MFCD12827458

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.415824
• LogD (pH = 7.4): 2.415826
• Log P: 2.415826
• Molar Refractivity: 49.8708 cm^3
• Polarizability: 18.786938 Å^3
• Polar Surface Area: 25.78 Å^2