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Choline-1,1,2,2-d₄bromide - 98%，98atom%D, high purity , CAS No.285979-69-3
Basic Description
Synonyms
2-Hydroxy-N,N,N-trimethylethan-1-aminium-1,1,2,2-d4 bromide | trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium;bromide | Choline-1,1,2,2-d4 (bromide) | A935311 | Choline-1,1,2,2-d4 bromide, 98 atom % D | AKOS025295057 | Ethan-1,1,2,2-d4-aminium, 2-
Specifications & Purity
≥98 atom% D,≥98%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Not available
Direct Parent
Cholines
Alternative Parents
Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504768269
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504768269
IUPAC Name
trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium;bromide
INCHI
InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
InChIKey
JJCWKVUUIFLXNZ-HGFPCDIYSA-M
Smiles
C[N+](C)(C)CCO.[Br-]
Isomeric SMILES
[2H]C([2H])(C([2H])([2H])O)[N+](C)(C)C.[Br-]
Molecular Weight
188.1
Reaxy-Rn
3912964
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912964&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMF (Slightly, Heated), Water (Slightly)
Sensitivity
Hygroscopic
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
188.100 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
187.051 Da
Monoisotopic Mass
187.051 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
46.500
Isotope Atom Count
4
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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E2330430