Lifitegrast Impurity 41 HCl

CAT: 1596-AR-L07243-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07243-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

14046-52-7

Molecular Formula

C9H10Cl3N. HCl

Molecular Weight

238.54 36.46

API Name

Lifitegrast

Chemical Information

2-Chloro-N-(3,5-dichlorobenzyl)ethanamine hcl

CAS Number	14046-52-7
PubChem CID	24190026
IUPAC Name	2-chloro-N-[(3,5-dichlorophenyl)methyl]ethanamine;hydrochloride
Molecular Formula	C9H11Cl4N
Molecular Weight	275.0
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	133

SMILES

C1=C(C=C(C=C1Cl)Cl)CNCCCl.Cl

InChI

InChI=1S/C9H10Cl3N.ClH/c10-1-2-13-6-7-3-8(11)5-9(12)4-7;/h3-5,13H,1-2,6H2;1H

InChIKey

WGYRHIDDVNCWPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14046-52-7

CID: 24190026

Formula: C9H11Cl4N

MW: 275.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	275.0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	274.961610
Monoisotopic Mass	272.964560
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	133
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