methyl[(quinolin-8-yl)methyl]amine

• ChemBase ID: 57215
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1cc(c2c(c1)cccn2)CNC
• Canonical SMILES: CNCc1cccc2c1nccc2
• InChI: InChI=1S/C11H12N2/c1-12-8-10-5-2-4-9-6-3-7-13-11(9)10/h2-7,12H,8H2,1H3
• InChIKey: OIGGMXDIIFQEML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(quinolin-8-yl)methyl]amine; methyl(quinolin-8-ylmethyl)amine
• IUPAC Traditional name: methyl(quinolin-8-ylmethyl)amine
• Synonyms: METHYL-QUINOLIN-8-YLMETHYL-AMINE; N-Methyl-1-quinolin-8-ylmethanamine

Database IDs

• CAS Number: 60843-63-2
• MDL Number: MFCD06738895
• PubChem SID: 162061978
• PubChem CID: 12293127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5107708
• LogD (pH = 7.4): -0.59113526
• Log P: 1.6892493
• Molar Refractivity: 53.2273 cm^3
• Polarizability: 22.272705 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%