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

• ChemBase ID: 270716
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: N1c2c(CC(C1)C)cccc2
• Canonical SMILES: CC1CNc2c(C1)cccc2
• InChI: InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-5,8,11H,6-7H2,1H3
• InChIKey: BUZMGUAGCNSWQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09896588
• PubChem SID: 164326626
• PubChem CID: 590224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1926196
• LogD (pH = 7.4): 2.2939947
• Log P: 2.295454
• Molar Refractivity: 48.634 cm^3
• Polarizability: 18.058989 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.704

Product Information

• Purity: 95%