1-ethyl-1,2,3,4-tetrahydroquinoxaline

• ChemBase ID: 272659
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1(c2c(NCC1)cccc2)CC
• Canonical SMILES: CCN1CCNc2c1cccc2
• InChI: InChI=1S/C10H14N2/c1-2-12-8-7-11-9-5-3-4-6-10(9)12/h3-6,11H,2,7-8H2,1H3
• InChIKey: KIDFEKJWQHWALS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01684956
• PubChem SID: 164328569
• PubChem CID: 3056887

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6777011
• LogD (pH = 7.4): 1.7385174
• Log P: 1.7393508
• Molar Refractivity: 53.46 cm^3
• Polarizability: 19.258192 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.371

Product Information

• Purity: 95%