[2-(4-chlorophenyl)ethyl](2-chloropropyl)amine hydrochloride

• ChemBase ID: 289737
• Molecular Formular: C11H16Cl3N
• Molecular Mass: 268.61044
• Monoisotopic Mass: 267.03483256
• SMILES: CC(Cl)CNCCc1ccc(Cl)cc1.Cl
• Canonical SMILES: CC(CNCCc1ccc(cc1)Cl)Cl.Cl
• InChI: InChI=1S/C11H15Cl2N.ClH/c1-9(12)8-14-7-6-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
• InChIKey: ARSNVFGYXNWTPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenyl)ethyl](2-chloropropyl)amine hydrochloride
• IUPAC Traditional name: [2-(4-chlorophenyl)ethyl](2-chloropropyl)amine hydrochloride
• Synonyms: 2-Chloro-N-(4-chlorophenethyl)propan-1-amine hydrochloride

Database IDs

• CAS Number: 953789-37-2
• MDL Number: MFCD11046660
• PubChem SID: 180675268
• PubChem CID: 44222956

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.40319043
• LogD (pH = 7.4): 1.7500522
• Log P: 3.5053654
• Molar Refractivity: 62.6279 cm^3
• Polarizability: 24.659904 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%