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

• ChemBase ID: 307519
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: n1c(ncc2c1CCCC2)N
• Canonical SMILES: Nc1ncc2c(n1)CCCC2
• InChI: InChI=1S/C8H11N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h5H,1-4H2,(H2,9,10,11)
• InChIKey: AIOOBFYEASSZHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2305-85-3
• MDL Number: MFCD08060043

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2086744
• LogD (pH = 7.4): 1.225546
• Log P: 1.2257657
• Molar Refractivity: 44.4271 cm^3
• Polarizability: 16.159054 Å^3
• Polar Surface Area: 51.8 Å^2