N,N'-Dimethyl-N-nitrosourea

Base Information

• Chemical Name: N,N'-Dimethyl-N-nitrosourea
• CAS No.: 13256-32-1
• Molecular Formula: C3H7 N3 O2
• Molecular Weight: 117.107
• NSC Number: 48893
• UNII: IJT22X8U2Z
• DSSTox Substance ID: DTXSID5074501
• Nikkaji Number: J3.435E
• Wikidata: Q82002825
• ChEMBL ID: CHEMBL4303552
• Mol file: 13256-32-1.mol

Synonyms:1,3-dimethyl-1-nitrosourea;dimetinur;N,N'-dimethylnitrosourea;nitrosodimethylurea

Chemical Property of N,N'-Dimethyl-N-nitrosourea

Chemical Property:

• Refractive Index: 1.4900 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 61.77000
• Density: 1.25g/cm³
• LogP: 0.32990
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 117.053826475
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dimethyl-3-nitrosourea(Contains25-35%water) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)N(C)N=O
• Uses: 1,3-Dimethyl-3-nitrosourea is a carcinogen.

Technology Process of N,N'-Dimethyl-N-nitrosourea

There total 6 articles about N,N'-Dimethyl-N-nitrosourea 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: 98.0%

N,N'-Dimethylurea (96-31-1) → 1,3 dimethyl 1 nitrosourea (13256-32-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 1h;

DOI:10.1016/j.tetlet.2014.06.091

Reference yield: 67.0%

N,N-dimethylthiourea (534-13-4) → 1,3 dimethyl 1 nitrosourea (13256-32-1)

Guidance literature:

With sodium nitrite; In formic acid; at 0 ℃; for 2h;

DOI:10.1021/jo00152a019

Reference yield:

1,1-Dimethylurea (598-94-7) → 1,3 dimethyl 1 nitrosourea (13256-32-1)

Guidance literature:

With sulfuric acid; sodium nitrite;

upstream raw materials:

1,1-Dimethylurea

N,N'-Dimethylurea

N₁,N₃-dimethyl-N₁-nitrosothiourea

N,N-dimethylthiourea

Downstream raw materials:

1-cyclohexyl-3-methylurea

N-Methyl-N'-(4-tolyl)harnstoff

N-methyl-N'-pentyl-urea

1-amino-1,3-dimethylurea

Refernces

• 1、 Gonzalez-Alatorre, Guillermo,Guzman-Maldonado, Salvador H.,Escamilla-Silva, Eleazar M.,Loarca-Pina, Guadalupe,Hernandez Benitez, Carlos. "Kinetic study of the nitrosation of 1,3-dialkylureas in aqueous-perchloric acid medium". . p. 273 - 279. Retrieved 2004.
• 2、 -. "HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION". Page/Page column 65. . Retrieved 2011/02/24.