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Nitrosobis(2-hydroxyethyl)amine-d8 , CAS No.1173019-53-8
Basic Description
Synonyms
N,N-Bis[2-hydroxy(~2~H_4_)ethyl]nitrous amide | N-Nitrosobis(2-hydroxyethyl)-d8-amine | YWB01953 | N-Nitrosodiethan-d8-olamine, >=98 atom % D, >=98% (CP) | 2,2'-(Nitrosoimino)bisethanol-d8; Diethanolnitrosamine-d8; N,N-Diethanolnitrosamine-d8; N-Nitrosodi
Specifications & Purity
≥99 atom% D,≥98%
Storage Temp
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Nitrosobis(2-hydroxyethyl)amine-d8 is a deuterated chemical of a potent liver carcinogen in several species of animals, is one of the most widespread N-nitroso compounds in the human environment.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Organic nitroso compounds
Intermediate Tree Nodes
Not available
Direct Parent
Organic N-nitroso compounds
Alternative Parents
Alkanolamines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organic n-nitroso compound - Alkanolamine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organic n-nitroso compounds. These are organic compounds containing a n-nitroso group -NN=O.
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
IUPAC Name
N,N-bis(1,1,2,2-tetradeuterio-2-hydroxyethyl)nitrous amide
INCHI
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2/i1D2,2D2,3D2,4D2
InChIKey
YFCDLVPYFMHRQZ-SVYQBANQSA-N
Smiles
C(CO)N(CCO)N=O
Isomeric SMILES
[2H]C([2H])(C([2H])([2H])O)N(C([2H])([2H])C([2H])([2H])O)N=O
Molecular Weight
142.18
Reaxy-Rn
1762620
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762620&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Sensitivity
Light sensitive;Moisture sensitive
Molecular Weight
142.180 g/mol
XLogP3
-1.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
142.119 Da
Monoisotopic Mass
142.119 Da
Topological Polar Surface Area
73.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
72.200
Isotope Atom Count
8
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
1
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B2315598