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N-Nitroso-methyl ethylamine - analytical standard, high purity , CAS No.10595-95-6
Basic Description
Synonyms
N-Nitrosoethylmethylamine | N-Nitroso-N-methylethylamine | Methylethylnitrosamine | N-Methyl-N-nitrosoethylamine | N-Methyl-N-nitrosoethanamine | Ethylmethylnitrosamine | Nitrosoethylmethylamine | N-nitrosomethylethylamine | Methylethylnitrosoamine
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
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
Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organic n-nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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
nitroso compound
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-ethyl-N-methylnitrous amide
INCHI
InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3
InChIKey
RTDCJKARQCRONF-UHFFFAOYSA-N
Smiles
CCN(C)N=O
Isomeric SMILES
CCN(C)N=O
Molecular Weight
88.11
Reaxy-Rn
1742021
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742021&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
88.110 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
88.0637 Da
Monoisotopic Mass
88.0637 Da
Topological Polar Surface Area
32.700 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
46.100
Isotope Atom Count
0
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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H2308183