quinolin-4-amine

• ChemBase ID: 67473
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: n1ccc(c2ccccc12)N
• Canonical SMILES: Nc1ccnc2c1cccc2
• InChI: InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)
• InChIKey: FQYRLEXKXQRZDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-4-amine
• IUPAC Traditional name: 4-aminoquinoline
• Synonyms: 4-Aminoquinoline; Quinolin-4-amine; Quinolin-4-amine; 4-Aminoquinoline 95+%

Database IDs

• CAS Number: 578-68-7
• MDL Number: MFCD00463448
• PubChem SID: 162033208
• PubChem CID: 68476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.024665048
• LogD (pH = 7.4): 0.5022929
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.15915 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.434

Safety Information

• Storage Warning: IRRITANT; Irritant/Air Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%