1-cyclopropyl-1,2,3,4-tetrahydroquinoxaline

• ChemBase ID: 246785
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: N1(C2CC2)c2c(NCC1)cccc2
• Canonical SMILES: c1ccc2c(c1)N(CCN2)C1CC1
• InChI: InChI=1S/C11H14N2/c1-2-4-11-10(3-1)12-7-8-13(11)9-5-6-9/h1-4,9,12H,5-8H2
• InChIKey: JVYGMSUBNDAILS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20664440
• PubChem SID: 164302695
• PubChem CID: 67320755

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7963526
• LogD (pH = 7.4): 1.8474158
• Log P: 1.8481073
• Molar Refractivity: 55.9226 cm^3
• Polarizability: 20.366844 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58 - 60°C
• Hydrophobicity(logP): 2.336

Product Information

• Purity: 95%