[2-chloro(2H4)ethyl]dimethylamine hydrochloride

• ChemBase ID: 164212
• Molecular Formular: C4H11Cl2N
• Molecular Mass: 144.04284
• Monoisotopic Mass: 143.02685472
• SMILES: ClCCN(C)C.Cl
• Canonical SMILES: ClCCN(C)C.Cl
• InChI: InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
• InChIKey: LQLJZSJKRYTKTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro(^2H₄)ethyl]dimethylamine hydrochloride
• IUPAC Traditional name: [2-chloro(^2H₄)ethyl]dimethylamine hydrochloride
• Synonyms: 2-Chloro-N,N-dimethyl-ethan-1,1,2,2-d4-amine Hydrochloride; 2-Chloro-N,N-dimethyl-ethan Amine-d4 Hydrochloride

Database IDs

• CAS Number: 1252995-12-2
• PubChem SID: 162258347
• PubChem CID: 71314717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5140041
• LogD (pH = 7.4): 0.23573531
• Log P: 0.8546593
• Molar Refractivity: 29.3314 cm^3
• Polarizability: 11.43972 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true