7-methoxy-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 289365
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: COc1cc2c(cc1)CCCN2
• Canonical SMILES: COc1ccc2c(c1)NCCC2
• InChI: InChI=1S/C10H13NO/c1-12-9-5-4-8-3-2-6-11-10(8)7-9/h4-5,7,11H,2-3,6H2,1H3
• InChIKey: WDKNRIQDGSVRBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 7-methoxy-1,2,3,4-tetrahydroquinoline
• Synonyms: 7-Methoxy-1,2,3,4-tetrahydroquinoline

Database IDs

• CAS Number: 19500-61-9
• MDL Number: MFCD08544271
• PubChem SID: 180674896
• PubChem CID: 16244388

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7370582
• LogD (pH = 7.4): 1.7723409
• Log P: 1.7728099
• Molar Refractivity: 50.6256 cm^3
• Polarizability: 18.70446 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%