4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone

Base Information

Chemical Name:4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone
CAS No.:764661-24-7
Molecular Formula:C₁₀H₁₃N₃O₂
Molecular Weight:211.2
Hs Code.:28459000
European Community (EC) Number:881-739-3
DSSTox Substance ID:DTXSID50478553
Wikidata:Q82312027
Mol file:764661-24-7.mol

Synonyms:764661-24-7;4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone;NNK-d4;N-methyl-N-[4-oxo-4-(2,4,5,6-tetradeuteriopyridin-3-yl)butyl]nitrous amide;4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone-d4;4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone (0.1 mg/mL in Methanol);N-Methyl-N-(4-oxo-4-(pyridin-3-yl-d4)butyl)nitrous amide;DTXSID50478553;AKOS030242951;HY-126477S;AS-68313;CS-0104063;D98967;(R,S)-N-Nitroso Anabasine-d4 (0.1 mg/mL in Methanol);4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone (1.0 mg/mL in Acetonitrile);4-[METHYL(NITROSO)AMINO]-1-[(2,4,5,6-(2)H?)PYRIDIN-3-YL]BUTAN-1-ONE

Suppliers and Price of 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone-d4
2.5mg
$ 180.00

Sigma-Aldrich
4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone analytical standard
2 mg
$ 266.00

Medical Isotopes, Inc.
4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone
25 mg
$ 2000.00

American Custom Chemicals Corporation
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-D4)-1-BUTANONE 95.00%
5MG
$ 503.02

Total 8 raw suppliers

Chemical Property of 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:60-62°C
Refractive Index:1.557
Boiling Point:423.908°C at 760 mmHg
Flash Point:210.172°C
PSA：62.63000
Density:1.18g/cm³
LogP:1.65770
Storage Temp.:Amber vial, -20°C Freezer
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:211.125883650
Heavy Atom Count:15
Complexity:221

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone-d4 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 11-20/21/22-41-38
Safety Statements: 15-36/37/39-46-27/28

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(CCCC(=O)C1=CN=CC=C1)N=O
Isomeric SMILES:[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)CCCN(C)N=O)[2H]
Uses 4-(METHYL-D3-NITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters Labelled NNK (M325750). 4-(METHYL-D3-NITROSAMINO)-1-(3-PYRIDYL)-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. Carcinogen.

Technology Process of 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone

There total 1 articles about 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 44.0%