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

• ChemBase ID: 255903
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c12NCCCc2cccc1OC
• Canonical SMILES: COc1cccc2c1NCCC2
• InChI: InChI=1S/C10H13NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6,11H,3,5,7H2,1H3
• InChIKey: ZPRWUIXDTQZKJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 53899-17-5
• MDL Number: MFCD07800307
• PubChem SID: 164311813
• PubChem CID: 5200345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5527698
• LogD (pH = 7.4): 1.7692112
• Log P: 1.7728099
• Molar Refractivity: 50.6256 cm^3
• Polarizability: 18.706072 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.288

Product Information

• Purity: 95%