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Cimaterol-d7 - 98%, high purity , CAS No.1228182-44-2

COA

Grade & Purity:

≥98%

Cas Number: 1228182-44-2
Molecular Weight: 226.33
MDL number: MFCD16652571
PubChem CID: 71312506

In stock

Item Number

C266128

Grouped product items
SKU	Size	Availability	Price	Qty
C266128-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$559.90

Basic Description

Synonyms	Cimaterol-d7 \| 1228182-44-2 \| Cimaterol D7 \| 2-amino-5-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1-hydroxyethyl]benzonitrile \| CL 263780-d7 \| DTXSID70746842 \| 2-Amino-5-(1-hydroxy-2-isopropyl-d7-aminoethyl)benzonitrile \| 1ST1355 \| HY-100935S \| CS-0128367 \| F90650 \| Cima
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application Cimaterol-d7 may be used as an internal standard for the determination of cimaterol in: Bovine urine samples by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Bovine muscles by molecular imprinted polymers (MIPs) with ion trap LC-MS. Animal muscles and viscera samples by QuEChERS (quick, easy, cheap, effective, rugged and safe) extraction and LC-MS/MS.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Aniline and substituted anilines Aralkylamines Secondary alcohols 1,2-aminoalcohols Nitriles Dialkylamines Primary amines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Aniline or substituted anilines - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Cyanide - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-amino-5-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1-hydroxyethyl]benzonitrile
INCHI	InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/i1D3,2D3,8D
InChIKey	BUXRLJCGHZZYNE-UNAVHCQLSA-N
Smiles	CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C=C1)N)C#N)O
WGK Germany	3
Molecular Weight	226.33
Reaxy-Rn	2418129
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2418129&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	226.330 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	226.181 Da
Monoisotopic Mass	226.181 Da
Topological Polar Surface Area	82.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258.000
Isotope Atom Count	7
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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