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N-Nitrosodimethylamine - 99%, high purity , CAS No.62-75-9
Basic Description
Synonyms
N-NITROSODIMETHYLAMINE | Dimethylnitrosamine | 62-75-9 | NDMA | N-Methyl-N-nitrosomethanamine | Dimethylnitrosoamine | N,N-Dimethylnitrosamine | DMNA | Nitrosodimethylamine | N,N-dimethylnitrous amide | Methanamine, N-methyl-N-nitroso- | Dimethylnitrosamin | N-Nitroso-N,N-dimeth
Specifications & Purity
≥99%
Storage Temp
Argon charged
Shipped In
Normal
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
nitrosamine
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488180010
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180010
IUPAC Name
N,N-dimethylnitrous amide
INCHI
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
InChIKey
UMFJAHHVKNCGLG-UHFFFAOYSA-N
Smiles
CN(C)N=O
Isomeric SMILES
CN(C)N=O
WGK Germany
3
RTECS
IQ0525000
UN Number
2810
Packing Group
I
Molecular Weight
74.08
Reaxy-Rn
1738979
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738979&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water, alcohol and ether
Sensitivity
Air sensitive
Refractive Index
1.44
Flash Point(°C)
61 °C
Boil Point(°C)
153°C
Molecular Weight
74.080 g/mol
XLogP3
-0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
74.048 Da
Monoisotopic Mass
74.048 Da
Topological Polar Surface Area
32.700 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
34.600
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
Citations of This Product
1.
Zhiqin Ding, Mengdie Cai, Weimin Gan, Ping Yuan, Lijun Wei, Xianglei Cheng.
(2023)
Studies on a novel method for the determination of nitrosamines in food by HPLC-UV-FLD coupling with terbium-doped carbon dots.
FOOD CHEMISTRY,
405
(134894).
2.
Yuanan Hu, Yuanzhen He, Hefa Cheng.
(2018)
Microwave-induced degradation of N-nitrosodimethylamine (NDMA) sorbed in zeolites: Effect of mineral surface chemistry and non-thermal effect of microwave.
Journal of Cleaner Production,
174
(1224).
3.
Kaili Huang, Haiqing Huang, Xuhui Huang, An Lao, Zheng Zheng, Hanqi Wu.
(2024)
Combined Toxic Effects and Mechanisms of Chloroacetic Acid and N-Nitrosodimethylamine on Submerged Macrophytes.
Water,
16
(18):
(2689).
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