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

• ChemBase ID: 295353
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: Cc1ccc2c(c1)CCCN2
• Canonical SMILES: Cc1ccc2c(c1)CCCN2
• InChI: InChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
• InChIKey: XOKMRXSMOHCNIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 6-methyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 6-Methyl-1,2,3,4-tetrahydroquinoline; 6-甲基-1,2,3,4-四氢喹啉

Database IDs

• CAS Number: 91-61-2
• EC Number: 202-083-0
• MDL Number: MFCD00023887
• Beilstein Number: 122515
• PubChem SID: 180680884
• PubChem CID: 66678

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2050698
• LogD (pH = 7.4): 2.4399045
• Log P: 2.4439025
• Molar Refractivity: 49.2036 cm^3
• Polarizability: 17.977528 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33-37°C
• Boiling Point: 262-263°C/712mm

Safety Information

• European Hazard Symbols: X
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%