quinolin-7-ylmethanamine

• ChemBase ID: 78159
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c2c(ccc1)ccc(c2)CN
• Canonical SMILES: NCc1ccc2c(c1)nccc2
• InChI: InChI=1S/C10H10N2/c11-7-8-3-4-9-2-1-5-12-10(9)6-8/h1-6H,7,11H2
• InChIKey: URZJLQQKSKBTAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-7-ylmethanamine
• IUPAC Traditional name: quinolin-7-ylmethanamine
• Synonyms: (Quinolin-7-yl)methylamine; 7-(Aminomethyl)quinoline

Database IDs

• CAS Number: 773092-54-9
• PubChem SID: 162042974
• PubChem CID: 17904490

CALCULATED PROPERTIES

• Polarizability: 20.425812 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7166207
• LogD (pH = 7.4): -0.67415494
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon