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

• ChemBase ID: 802488
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: C1C(Cc2ncncc2C1)N
• Canonical SMILES: NC1CCc2c(C1)ncnc2
• InChI: InChI=1S/C8H11N3/c9-7-2-1-6-4-10-5-11-8(6)3-7/h4-5,7H,1-3,9H2
• InChIKey: QMAJEVOQBFYFPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9728198
• LogD (pH = 7.4): -2.2835197
• Log P: 0.03821276
• Molar Refractivity: 42.9537 cm^3
• Polarizability: 16.544168 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%