Delfaprazine Impurity 2

CAT: 1299-RM-D053402-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D053402-04Size:100 mg

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CAS Number

120975-20-4

Synonyms

1- (4-chloro-2- (2-chlorobenzyl) phenyl) piperazine

Molecular Formula

C17H18Cl2N2

Molecular Weight

321.24

Target Alternative Name

Delfaprazine

Product Name Synonym

1- (4-chloro-2- (2-chlorobenzyl) phenyl) piperazine

Chemical Information

Delfaprazine Impurity 2

CAS Number	120975-20-4
PubChem CID	20026505
IUPAC Name	1-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]piperazine
Molecular Formula	C17H18Cl2N2
Molecular Weight	321.2
XLogP	4.6
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	320

SMILES

C1CN(CCN1)C2=C(C=C(C=C2)Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H18Cl2N2/c18-15-5-6-17(21-9-7-20-8-10-21)14(12-15)11-13-3-1-2-4-16(13)19/h1-6,12,20H,7-11H2

InChIKey

JGAPMAJNRLOLBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120975-20-4

CID: 20026505

Formula: C17H18Cl2N2

MW: 321.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.2
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	320.0847040
Monoisotopic Mass	320.0847040
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	320
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	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-D053401-01	Delfaprazine Impurity 1
RM-D053404-01	Delfaprazine Impurity 4
RM-D053403-01	Delfaprazine Impurity 3
RM-D053400-01	Delfaprazine
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-S060226-01	Sofosbuvir Impurity 2; Sofosbuvir Impurity V
RM-V192041-01	Valsartan Impurity 41; Sacubitril Impurity 2
RM-V192107-01	Valsartan Impurity 107; Amlodipine Impurity 2
RM-K200339-01	Ketoconazole Impurity 39; Itraconazole Impurity 2
RM-I231002-01	Ivacaftor Impurity 2

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