4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone

Base Information

• Chemical Name: 4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone
• CAS No.: 86270-92-0
• Molecular Formula: C10H13N3O2
• Molecular Weight: 210.25
• European Community (EC) Number: 635-201-8
• DSSTox Substance ID: DTXSID90235465
• Nikkaji Number: J350.622C
• Wikidata: Q83117358
• Mol file: 86270-92-0.mol

Synonyms:86270-92-0;4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone;NNK-d3;1-Butanone, 4-((methyl-d3)nitrosoamino)-1-(3-pyridinyl)-;N-(4-oxo-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide;4-((Methyl-d3)nitrosoamino)-1-(3-pyridinyl)-1-butanone;4-(N-Methyl-N-nitrosoamino)-1-(3-pyridinyl)-2-butanone;4-(Trideuteromethylnitrosamino)-1-(3-pyridyl)-1-butanone;DTXSID90235465;C10H10D3N3O2;FLAQQSHRLBFIEZ-FIBGUPNXSA-N;AKOS030243059;C10-H10-D3-N3-O2;HY-126477S1;CS-0644549;4-(Methyl-D-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone, analytical standard

Chemical Property of 4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone

Chemical Property:

• Vapor Pressure: 2.15E-07mmHg at 25°C
• Boiling Point: 423.9°C at 760 mmHg
• Flash Point: 210.2°C
• PSA: 62.63000
• Density: 1.17g/cm³
• LogP: 1.65770
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 210.119606904
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(CCCC(=O)C1=CN=CC=C1)N=O
• Isomeric SMILES: [2H]C([2H])([2H])N(CCCC(=O)C1=CN=CC=C1)N=O
• Uses: 4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanone was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified, It is likely to be important in the etiology of cancers of the lung, oral cavity, and pancreas in people who use tabacco products. Readily produces cancer in rats and hamsters.

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