methyl(quinoxalin-2-ylmethyl)amine

• ChemBase ID: 310382
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1c2c(ncc1CNC)cccc2
• Canonical SMILES: CNCc1cnc2c(n1)cccc2
• InChI: InChI=1S/C10H11N3/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,7,11H,6H2,1H3
• InChIKey: RGTUTUTVYIMVEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(quinoxalin-2-ylmethyl)amine
• IUPAC Traditional name: methyl(quinoxalin-2-ylmethyl)amine
• Synonyms: N-methyl-1-quinoxalin-2-ylmethanamine

Database IDs

• CAS Number: 136727-13-4
• MDL Number: MFCD08060066

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.771718
• LogD (pH = 7.4): -0.06498085
• Log P: 0.9388991
• Molar Refractivity: 50.1762 cm^3
• Polarizability: 21.324196 Å^3
• Polar Surface Area: 37.81 Å^2