(quinolin-5-yl)methanamine

• ChemBase ID: 57210
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1ccc2c(c1CN)cccn2
• Canonical SMILES: NCc1cccc2c1cccn2
• InChI: InChI=1S/C10H10N2/c11-7-8-3-1-5-10-9(8)4-2-6-12-10/h1-6H,7,11H2
• InChIKey: HNTPRADIZKVIMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (quinolin-5-yl)methanamine; quinolin-5-ylmethanamine
• IUPAC Traditional name: quinolin-5-ylmethanamine
• Synonyms: C-QUINOLIN-5-YL-METHYLAMINE; (Quinolin-5-ylmethyl)amine

Database IDs

• CAS Number: 58123-57-2
• MDL Number: MFCD06738976
• PubChem SID: 162061973
• PubChem CID: 12018693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.74533
• LogD (pH = 7.4): -0.93578094
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.426502 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%