2,8-dichloroquinazolin-4-amine

• ChemBase ID: 293143
• Molecular Formular: C8H5Cl2N3
• Molecular Mass: 214.0514
• Monoisotopic Mass: 212.98605254
• SMILES: Nc1c2cccc(Cl)c2nc(Cl)n1
• Canonical SMILES: Clc1nc(N)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C8H5Cl2N3/c9-5-3-1-2-4-6(5)12-8(10)13-7(4)11/h1-3H,(H2,11,12,13)
• InChIKey: BWHIMSYPTNZFDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dichloroquinazolin-4-amine
• IUPAC Traditional name: 2,8-dichloroquinazolin-4-amine
• Synonyms: 2,8-Dichloroquinazolin-4-amine

Database IDs

• CAS Number: 1107694-84-7
• MDL Number: MFCD11858259
• PubChem SID: 180678674
• PubChem CID: 34181589

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7031817
• LogD (pH = 7.4): 2.7031891
• Log P: 2.7031891
• Molar Refractivity: 54.1178 cm^3
• Polarizability: 21.082603 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%