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

• ChemBase ID: 78714
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: N1c2c(cccc2CCC1)C
• Canonical SMILES: Cc1cccc2c1NCCC2
• InChI: InChI=1S/C10H13N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2,4-5,11H,3,6-7H2,1H3
• InChIKey: YIIPMCFBCZKCFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 8-methyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 8-Methyl-1,2,3,4-tetrahydroquinoline

Database IDs

• CAS Number: 52601-70-4
• MDL Number: MFCD00218100
• PubChem SID: 162043477
• PubChem CID: 2774166

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.351271
• LogD (pH = 7.4): 2.4426038
• Log P: 2.4439025
• Molar Refractivity: 49.2036 cm^3
• Polarizability: 17.978455 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.684

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%; 97%