Delfaprazine Impurity 3

CAT: 1299-RM-D053403-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D053403-01Size:10 mg

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CAS Number

716310-66-6

Synonyms

1- (2-benzyl-5-chlorophenyl) piperazine

Molecular Formula

C17H19ClN2

Molecular Weight

286.8

Target Alternative Name

Delfaprazine

Product Name Synonym

1- (2-benzyl-5-chlorophenyl) piperazine

Chemical Information

Delfaprazine Impurity 3

CAS Number	716310-66-6
PubChem CID	20026516
IUPAC Name	1-(2-benzyl-5-chlorophenyl)piperazine
Molecular Formula	C17H19ClN2
Molecular Weight	286.8
XLogP	3.9
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	285

SMILES

C1CN(CCN1)C2=C(C=CC(=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C17H19ClN2/c18-16-7-6-15(12-14-4-2-1-3-5-14)17(13-16)20-10-8-19-9-11-20/h1-7,13,19H,8-12H2

InChIKey

BOULFTXHKZCONE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 716310-66-6

CID: 20026516

Formula: C17H19ClN2

MW: 286.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.8
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	286.1236763
Monoisotopic Mass	286.1236763
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	285
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-D053402-01	Delfaprazine Impurity 2
RM-D053401-01	Delfaprazine Impurity 1
RM-D053404-01	Delfaprazine Impurity 4
RM-D053400-01	Delfaprazine
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-A042503-01	Doxorubicinol Impurity 3
RM-C061729-01	Cefoperazone Impurity 3
RM-A220103-01	Avatrombopag Impurity 3
RM-V090103-01	Vincamine Impurity 3
RM-M040129-01	Midazolam Impurity 3

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