6-phenyl-1,2,3,4-tetrahydroquinoline hydrochloride

• ChemBase ID: 238032
• Molecular Formular: C15H16ClN
• Molecular Mass: 245.74724
• Monoisotopic Mass: 245.0971272
• SMILES: c1(cc2c(NCCC2)cc1)c1ccccc1.Cl
• Canonical SMILES: c1ccc(cc1)c1ccc2c(c1)CCCN2.Cl
• InChI: InChI=1S/C15H15N.ClH/c1-2-5-12(6-3-1)13-8-9-15-14(11-13)7-4-10-16-15;/h1-3,5-6,8-9,11,16H,4,7,10H2;1H
• InChIKey: VAOGDXXGECHGOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenyl-1,2,3,4-tetrahydroquinoline hydrochloride
• IUPAC Traditional name: 6-phenyl-1,2,3,4-tetrahydroquinoline hydrochloride
• Synonyms: 6-phenyl-1,2,3,4-tetrahydroquinoline hydrochloride

Database IDs

• MDL Number: MFCD22375331
• PubChem SID: 164293942
• PubChem CID: 71756069

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.507588
• LogD (pH = 7.4): 3.576749
• Log P: 3.5777066
• Molar Refractivity: 69.2986 cm^3
• Polarizability: 27.290308 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 4.073

Product Information

• Purity: 95%