(5,6,7,8-tetrahydroquinazolin-2-yl)methanamine hydrochloride

• ChemBase ID: 815544
• Molecular Formular: C9H14ClN3
• Molecular Mass: 199.68056
• Monoisotopic Mass: 199.08762514
• SMILES: Cl.C(N)c1nc2CCCCc2cn1
• Canonical SMILES: NCc1ncc2c(n1)CCCC2.Cl
• InChI: InChI=1S/C9H13N3.ClH/c10-5-9-11-6-7-3-1-2-4-8(7)12-9;/h6H,1-5,10H2;1H
• InChIKey: HMZPKMYCEIHJDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5,6,7,8-tetrahydroquinazolin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine hydrochloride
• Synonyms: (5,6,7,8-tetrahydroquinazolin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196153-04-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.267431
• LogD (pH = 7.4): 0.43133134
• Log P: 0.9445391
• Molar Refractivity: 47.7648 cm^3
• Polarizability: 18.384497 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%