4-chloro-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase ID: 307457
• Molecular Formular: C10H14ClN3
• Molecular Mass: 211.69126
• Monoisotopic Mass: 211.08762514
• SMILES: n1c(nc2c(c1Cl)CCCC2)N(C)C
• Canonical SMILES: CN(c1nc2CCCCc2c(n1)Cl)C
• InChI: InChI=1S/C10H14ClN3/c1-14(2)10-12-8-6-4-3-5-7(8)9(11)13-10/h3-6H2,1-2H3
• InChIKey: GRJAHNHNEFHLDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC Traditional name: 4-chloro-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
• Synonyms: 4-chloro-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

Database IDs

• CAS Number: 71406-81-0
• MDL Number: MFCD08059995

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.983827
• LogD (pH = 7.4): 2.9869177
• Log P: 2.9869573
• Molar Refractivity: 60.0214 cm^3
• Polarizability: 21.7931 Å^3
• Polar Surface Area: 29.02 Å^2