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

CAS: 62-75-9 Cat. No.: N396014 분자식: C₂H₆N₂O 분자량: 74.08 EC 번호: 200-549-8

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥99%

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488180010

Pubchem Sid Url

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

정식 스마일

CN(C)N=O

IUPAC Name

N,N-dimethylnitrous amide

InChIKey

UMFJAHHVKNCGLG-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CN(C)N=O

WGK 독일

3

RTECS

IQ0525000

UN 번호

2810

포장 그룹

I

분자량

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
    • 분류 Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water, alcohol and ether
• 감도: Air sensitive
• 굴절률: 1.44
• 발화점(°C): 61 °C
• 끓는점(°C): 153°C
• 분자량: 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