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N-Nitroso-N-methyl-N-dodecylamine , CAS No.55090-44-3
a nitroso compound having carcinogenic potency
Basic Description
Synonyms
DODECYLAMINE, N-METHYL-N-NITROSO- | N-Methyl-N-dodecylnitrosamine | N-Nitroso-N-methyl-N-dodecylamin | Nmdda | Methyldodecylnitrosamine | DODECYL-N-METHYLNITROSAMINE, N- | MDNA | N-Methyl-N-nitrosolaurylamine | DTXSID4021000 | SCHEMBL2932800 | FT-0672970
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
N-Nitroso-N-methyl-N-dodecylamine is a nitroso compound that has carcinogenic potency.
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
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.
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-dodecyl-N-methylnitrous amide
INCHI
InChI=1S/C13H28N2O/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16/h3-13H2,1-2H3
InChIKey
QPUKANZXOGADOB-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCN(C)N=O
Isomeric SMILES
CCCCCCCCCCCCN(C)N=O
Molecular Weight
228.37
Reaxy-Rn
2251135
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2251135&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.370 g/mol
XLogP3
5.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
11
Exact Mass
228.22 Da
Monoisotopic Mass
228.22 Da
Topological Polar Surface Area
32.700 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
151.000
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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