2-(quinazolin-4-yl)ethan-1-amine

• ChemBase ID: 802350
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: C(Cc1ncnc2ccccc12)N
• Canonical SMILES: NCCc1ncnc2c1cccc2
• InChI: InChI=1S/C10H11N3/c11-6-5-10-8-3-1-2-4-9(8)12-7-13-10/h1-4,7H,5-6,11H2
• InChIKey: ICMSWSNTPGCJSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinazolin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(quinazolin-4-yl)ethanamine
• Synonyms: 2-(QUINAZOLIN-4-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1231775
• LogD (pH = 7.4): -1.2220695
• Log P: 0.8693156
• Molar Refractivity: 51.4511 cm^3
• Polarizability: 21.240715 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%