2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile
• CAS No.: 1246816-57-8
• Molecular Formula: C16H24ClN3
• Molecular Weight: 293.83486
• UNII: 0ZD111VO20
• DSSTox Substance ID: DTXSID90154460
• Wikidata: Q27251067
• Mol file: 1246816-57-8.mol

Synonyms:1246816-57-8;2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile;UNII-0ZD111VO20;alpha,alpha-Bis[2-(dimethylamino)ethyl]-;0ZD111VO20;Chlorpheniramine Impurity A;Chlorphenamine maleate impurity A [EP];Chlorphenamine maleate specified impurity A [EP];2-(4-Chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile;Benzeneacetonitrile, 4-chloro-?,?-bis[2-(dimethylamino)ethyl]-;2-(4-Chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile, Chlorphenamine Maleate Imp. A (EP);4-chloro-alpha,alpha-bis[2-(dimethylamino)ethyl]-;Chlorphenamine impurity A;DTXSID90154460;BCP32994;WZB81657;|A,|A-Bis[2-(dimethylamino)ethyl]-;CHLORPHENAMINE MALEATE IMPURITY A [EP IMPURITY];Q27251067;+/-,+/--Bis[2-(dimethylamino)ethyl]-4-chlorophenylacetonitrile;Chlorphenamine Impurity A Dimaleate;(c) paragraph sign,(c) paragraph sign-Bis[2-(dimethylamino)ethyl]-

Chemical Property of 2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile

Chemical Property:

• Boiling Point: 410.4±45.0 °C(Predicted)
• PKA: 9.05±0.28(Predicted)
• PSA: 30.27000
• Density: 1.068±0.06 g/cm3(Predicted)
• LogP: 3.00478
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 293.1658755
• Heavy Atom Count: 20
• Complexity: 312

Purity/Quality:

98%,99%, ^*data from raw suppliers

α,α-Bis[2-(dimethylamino)ethyl]-4-chlorophenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(CCN(C)C)(C#N)C1=CC=C(C=C1)Cl
• Uses: Chlorpeniramine intermediate.