1-methyl-1,2,3,4-tetrahydroquinoxaline

• ChemBase ID: 260513
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: N1(c2c(NCC1)cccc2)C
• Canonical SMILES: CN1CCNc2c1cccc2
• InChI: InChI=1S/C9H12N2/c1-11-7-6-10-8-4-2-3-5-9(8)11/h2-5,10H,6-7H2,1H3
• InChIKey: SXLZJUPRTINRQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,2,3,4-tetrahydroquinoxaline
• IUPAC Traditional name: 1-methyl-3,4-dihydro-2H-quinoxaline
• Synonyms: 1-methyl-1,2,3,4-tetrahydroquinoxaline

Database IDs

• MDL Number: MFCD01684957
• PubChem SID: 164316423
• PubChem CID: 215850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3230779
• LogD (pH = 7.4): 1.381741
• Log P: 1.3825428
• Molar Refractivity: 48.7114 cm^3
• Polarizability: 17.41271 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.442

Product Information

• Purity: 95%