quinolin-4-ylmethanamine

• ChemBase ID: 286444
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c12c(nccc1CN)cccc2
• Canonical SMILES: NCc1ccnc2c1cccc2
• InChI: InChI=1S/C10H10N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7,11H2
• InChIKey: BVQGQPVMVBOTID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-4-ylmethanamine; (quinolin-4-yl)methanamine
• IUPAC Traditional name: quinolin-4-ylmethanamine
• Synonyms: quinolin-4-ylmethanamine; (quinolin-4-ylmethyl)amine; 4-AMINOMETHYLQUINOLINE

Database IDs

• CAS Number: 5632-13-3
• MDL Number: MFCD02179262
• PubChem SID: 180671975
• PubChem CID: 12017326

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7380277
• LogD (pH = 7.4): -0.852104
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.426527 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.981

Product Information

• Purity: 95%; 98%