Aripiprazole Impurity 7 HCl

CAT: 1596-AR-A07100-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07100-01Size:10 Units

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CAS Number

2748335-71-7

Synonyms

N1- (2-chloroethyl) -N2- (2,3-dichlorophenyl) ethane-1,2-diamine, hydrochloride (1:1)

Molecular Formula

C10H13Cl3N2. HCl

Molecular Weight

267.59 36.46

API Name

Aripiprazole

Chemical Information

N1-(2-Chloroethyl)-N2-(2,3-dichlorophenyl)ethane-1,2-diamine Hydrochloride (>80%)

CAS Number	2748335-71-7
PubChem CID	168443822
IUPAC Name	N-(2-chloroethyl)-N'-(2,3-dichlorophenyl)ethane-1,2-diamine;hydrochloride
Molecular Formula	C10H14Cl4N2
Molecular Weight	304.0
Topological Polar Surface Area	24.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	169

SMILES

C1=CC(=C(C(=C1)Cl)Cl)NCCNCCCl.Cl

InChI

InChI=1S/C10H13Cl3N2.ClH/c11-4-5-14-6-7-15-9-3-1-2-8(12)10(9)13;/h1-3,14-15H,4-7H2;1H

InChIKey

SQFVQNGTZGKWMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2748335-71-7

CID: 168443822

Formula: C10H14Cl4N2

MW: 304.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	303.988159
Monoisotopic Mass	301.991109
Topological Polar Surface Area	24.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-A02517-01	Aripiprazole EP Impurity B HCl (Dichloro piperazine impurity)
AR-A02528-01	Aripiprazole Impurity
AR-A02529-01	Aripiprazole EP Impurity G (Aripiprazole Dimer Impurity)
AR-A07098-01	Aripiprazole EP Impurity B-d8 HCl (Aripiprazole USP Related Compound C-d8)
AR-A08016-01	Aripiprazole Hydroxybutylpiperazine Impurity
AR-A07102-01	Aripiprazole Nitroso Impurity
AR-A08017-01	Aripiprazole Hydroxybutoxyquinoline Impurity
AR-A02541-01	Aripiprazole Impurity 10
AR-A02534-01	Aripiprazole Impurity 4
AR-A02555-01	Aripiprazole Impurity 23