8-nitroquinolin-2-amine

• ChemBase ID: 292696
• Molecular Formular: C9H7N3O2
• Molecular Mass: 189.17078
• Monoisotopic Mass: 189.05382648
• SMILES: Nc1nc2c(cccc2[N+](=O)[O-])cc1
• Canonical SMILES: Nc1ccc2c(n1)c(ccc2)[N+](=O)[O-]
• InChI: InChI=1S/C9H7N3O2/c10-8-5-4-6-2-1-3-7(12(13)14)9(6)11-8/h1-5H,(H2,10,11)
• InChIKey: YXXGWWIZRGKLBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-nitroquinolin-2-amine
• IUPAC Traditional name: 8-nitroquinolin-2-amine
• Synonyms: 8-Nitroquinolin-2-amine

Database IDs

• CAS Number: 861581-93-3
• PubChem SID: 180678227
• PubChem CID: 70696544

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8355823
• LogD (pH = 7.4): 1.8364058
• Log P: 1.8364162
• Molar Refractivity: 51.3137 cm^3
• Polarizability: 19.940752 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%