quinolin-7-amine

• ChemBase ID: 66833
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: n1cccc2ccc(cc12)N
• Canonical SMILES: Nc1ccc2c(c1)nccc2
• InChI: InChI=1S/C9H8N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,10H2
• InChIKey: RZAUIOKDXQWSQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-7-amine
• IUPAC Traditional name: quinolin-7-amine
• Synonyms: 7-Aminoquinoline; quinolin-7-amine

Database IDs

• CAS Number: 580-19-8
• MDL Number: MFCD01646243
• PubChem SID: 162032569
• PubChem CID: 11377

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.43590283
• LogD (pH = 7.4): 1.2551222
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.160921 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%