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

• ChemBase ID: 68643
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: N1CCCc2ccc(cc12)OC.Cl
• Canonical SMILES: COc1ccc2c(c1)NCCC2.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-12-9-5-4-8-3-2-6-11-10(8)7-9;/h4-5,7,11H,2-3,6H2,1H3;1H
• InChIKey: CGFHSMOLGAEIIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19500-62-0
• MDL Number: MFCD09026781
• PubChem SID: 162034373
• PubChem CID: 45790059

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%