N-Nitrosodimethylamine - ≥99% , CAS No.62-75-9

CAS: 62-75-9 Cat. No.: N396014 分子式: C₂H₆N₂O 分子量: 74.08 EC番号: 200-549-8

グレード＆純度 ≥99%

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

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

仕様

同義語

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

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

純度

≥99%

名前と識別子

パブケム・シド

488180010

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180010

カノニカル・スマイル

CN(C)N=O

IUPAC Name

N,N-dimethylnitrous amide

InChIKey

UMFJAHHVKNCGLG-UHFFFAOYSA-N

INCHI

1S/C2H6N2O/c1-4(2)3-5/h1-2H3

異性体SMILES

CN(C)N=O

WGKドイツ

3

RTECS

IQ0525000

UN番号

2810

包装グループ

I

分子量

74.08

Reaxy-Rn

1738979

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738979&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water, alcohol and ether
• 感度: Air sensitive
• 屈折率: 1.44
• 引火点（°C）: 61 °C
• 沸点（°C）: 153°C
• 分子量: 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