methyl(quinoxalin-6-ylmethyl)amine

• ChemBase ID: 15924
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c1cnc2c(n1)cc(cc2)CNC
• Canonical SMILES: CNCc1ccc2c(c1)nccn2
• InChI: InChI=1S/C10H11N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6,11H,7H2,1H3
• InChIKey: QRZKMXOFPHWLCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(quinoxalin-6-ylmethyl)amine
• IUPAC Traditional name: methyl(quinoxalin-6-ylmethyl)amine
• Synonyms: N-Methyl-1-quinoxalin-6-ylmethanamine

Database IDs

• MDL Number: MFCD06801107
• PubChem SID: 160979231
• PubChem CID: 26188712

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3268683
• LogD (pH = 7.4): -1.2973605
• Log P: 0.8574272
• Molar Refractivity: 50.6984 cm^3
• Polarizability: 21.322721 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false