4-chloro-9-methyl-1,2,3,4-tetrahydroacridine hydrochloride

• ChemBase ID: 249233
• Molecular Formular: C14H15Cl2N
• Molecular Mass: 268.1816
• Monoisotopic Mass: 267.05815485
• SMILES: n1c2c(c(c3c1cccc3)C)CCCC2Cl.Cl
• Canonical SMILES: ClC1CCCc2c1nc1ccccc1c2C.Cl
• InChI: InChI=1S/C14H14ClN.ClH/c1-9-10-5-2-3-8-13(10)16-14-11(9)6-4-7-12(14)15;/h2-3,5,8,12H,4,6-7H2,1H3;1H
• InChIKey: PPKAWGXDZHGYHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-9-methyl-1,2,3,4-tetrahydroacridine hydrochloride
• IUPAC Traditional name: 4-chloro-9-methyl-1,2,3,4-tetrahydroacridine hydrochloride
• Synonyms: 4-chloro-9-methyl-1,2,3,4-tetrahydroacridine hydrochloride

Database IDs

• CAS Number: 71058-85-0
• MDL Number: MFCD06682711
• PubChem SID: 164305143
• PubChem CID: 16247847

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.404853
• LogD (pH = 7.4): 4.453362
• Log P: 4.454018
• Molar Refractivity: 66.6221 cm^3
• Polarizability: 27.106657 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 4.283

Product Information

• Purity: 95%
• Salt Data: HCl