Delfaprazine Impurity 4

CAT: 1299-RM-D053404-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D053404-02Size:25 mg

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CAS Number

120975-19-1

Synonyms

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

Molecular Formula

C18H21ClN2

Molecular Weight

300.83

Target Alternative Name

Delfaprazine

Product Name Synonym

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

Chemical Information

Delfaprazine Impurity 4

CAS Number	120975-19-1
PubChem CID	20026498
IUPAC Name	1-[4-chloro-2-[(4-methylphenyl)methyl]phenyl]piperazine
Molecular Formula	C18H21ClN2
Molecular Weight	300.8
XLogP	4.3
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	308

SMILES

CC1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)N3CCNCC3

InChI

InChI=1S/C18H21ClN2/c1-14-2-4-15(5-3-14)12-16-13-17(19)6-7-18(16)21-10-8-20-9-11-21/h2-7,13,20H,8-12H2,1H3

InChIKey

SSCZVSBJZPMCSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120975-19-1

CID: 20026498

Formula: C18H21ClN2

MW: 300.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.8
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	300.1393264
Monoisotopic Mass	300.1393264
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	308
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-D053403-01	Delfaprazine Impurity 3
RM-D053400-01	Delfaprazine
RM-G271004-01	Gc376 Impurity 4; Nirmatrelvir Impurity
RM-P052104-01	Pelubiprofen Impurity 4
RM-C310004-01	Ceftibuten Impurity 4
RM-I040130-01	Indacaterol Impurity 4
RM-D161404-01	Dexpanthenol Impurity 4
RM-M110004-01	Mezlocillin Impurity 4

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