Products for Research Use Only

Chlorphenamine EP Impurity A DiHCl

CAT: 1596-AR-C05427-01Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-C05427-01Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2575516-39-9
Synonyms
2- (4-Chlorophenyl) -4- (dimethylamino) -2- (2- (dimethylamino) ethyl) butanenitrile dihydrochloride
Molecular Formula
C16H24ClN3.2ClH
Molecular Weight
293.8 : 2 (36.5)
API Name
Chlorphenamine

Chemical Information

2-(4-Chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile Dihydrochloride
CAS Number2575516-39-9
PubChem CID20111735
IUPAC Name2-(4-chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile;dihydrochloride
Molecular FormulaC16H26Cl3N3
Molecular Weight366.8
Topological Polar Surface Area30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity312
SMILES
CN(C)CCC(CCN(C)C)(C#N)C1=CC=C(C=C1)Cl.Cl.Cl
InChI
InChI=1S/C16H24ClN3.2ClH/c1-19(2)11-9-16(13-18,10-12-20(3)4)14-5-7-15(17)8-6-14;;/h5-8H,9-12H2,1-4H3;2*1H
InChIKey
TUPSQGYFUJKWQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenyl)-4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butanenitrile Dihydrochloride
CAS: 2575516-39-9
CID: 20111735
Formula: C16H26Cl3N3
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass365.119231
Monoisotopic Mass365.119231
Topological Polar Surface Area30.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes