2-(propan-2-yl)-1,2,3,4-tetrahydroquinoline hydrochloride

• ChemBase ID: 239466
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: N1c2c(CCC1C(C)C)cccc2.Cl
• Canonical SMILES: CC(C1CCc2c(N1)cccc2)C.Cl
• InChI: InChI=1S/C12H17N.ClH/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;/h3-6,9,11,13H,7-8H2,1-2H3;1H
• InChIKey: KZLWGKCJODLEKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-1,2,3,4-tetrahydroquinoline hydrochloride
• IUPAC Traditional name: 2-isopropyl-1,2,3,4-tetrahydroquinoline hydrochloride
• Synonyms: 2-(propan-2-yl)-1,2,3,4-tetrahydroquinoline hydrochloride

Database IDs

• MDL Number: MFCD22378747
• PubChem SID: 164295376
• PubChem CID: 71756414

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1345427
• LogD (pH = 7.4): 3.233137
• Log P: 3.2345514
• Molar Refractivity: 57.5768 cm^3
• Polarizability: 21.752686 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.632

Product Information

• Purity: 95%