2-methyl-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 265333
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: N1c2c(CCC1C)cccc2
• Canonical SMILES: CC1CCc2c(N1)cccc2
• InChI: InChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H3
• InChIKey: JZICUKPOZUKZLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 2-methyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 2-methyl-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD00023886
• PubChem SID: 164321243
• PubChem CID: 96289

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2543614
• LogD (pH = 7.4): 2.3457563
• Log P: 2.3470562
• Molar Refractivity: 48.5812 cm^3
• Polarizability: 18.059013 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 2.704

Product Information

• Purity: 95%