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Varenicline Impurity 14

CAT: 1459-CS-O-33136Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-33136Size:1 Each
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Description
Varenicline Impurity 14 is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Varenicline. The product is supplied by Clearsynth under CAT No. CS-O-33136. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
230615-56-2
Synonyms
Varenicline Impurity 14
Molecular Formula
C 13 H 13 F 3 N 2 O
Molecular Weight
270.3
Additionnal Information
Varenicline Impurity 14 is supplied with detailed characterization data compliant with regulatory guideline. Varenicline Impurity 14 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Varenicline.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

1,5-Methano-1H-3-benzazepin-7-amine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)-
CAS Number230615-56-2
PubChem CID176489785
IUPAC Name1-[(1S,8R)-4-amino-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl]-2,2,2-trifluoroethanone
Molecular FormulaC13H13F3N2O
Molecular Weight270.25
XLogP1.9
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity385
SMILES
C1[C@H]2CN(C[C@@H]1C3=C2C=CC(=C3)N)C(=O)C(F)(F)F
InChI
InChI=1S/C13H13F3N2O/c14-13(15,16)12(19)18-5-7-3-8(6-18)11-4-9(17)1-2-10(7)11/h1-2,4,7-8H,3,5-6,17H2/t7-,8+/m0/s1
InChIKey
LBIBXCMFBMASMP-JGVFFNPUSA-N
Chemical Structure
2D Structure
2D structure of 1,5-Methano-1H-3-benzazepin-7-amine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)-
CAS: 230615-56-2
CID: 176489785
Formula: C13H13F3N2O
MW: 270.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.25
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass270.09799753
Monoisotopic Mass270.09799753
Topological Polar Surface Area46.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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