n-Methyl-n-nitro-n-nitrosoguanidine

Base Information

• Chemical Name: n-Methyl-n-nitro-n-nitrosoguanidine
• CAS No.: 70-25-7
• Molecular Formula: C2H5 N5 O3
• Molecular Weight: 147.093
• Hs Code.: 2925290090
• NCI Thesaurus Code: C44415
• Mol file: 70-25-7.mol

Synonyms:n-methyl-n-nitro-n-nitrosoguanidine;1-methyl-2-nitro-1-nitrosoguanidine;1-methyl-2-nitro-1-nitroso-guanidine;C2H5N5O3;1-Metil-3-Nitro-1-Nitrosoguanidina;AKOS006222319;AKOS015900696;N-Methyl-N/'-nitro-N-nitrosoguanidine;Guanidina, n-metil-n'-nitro-n-nitroso-;M0527;A836816

Chemical Property of n-Methyl-n-nitro-n-nitrosoguanidine

Chemical Property:

• Appearance/Colour: yellow to pink crystals
• Melting Point: 118 ºC (dec.)
• Refractive Index: 1.6410 (estimate)
• Boiling Point: 267.16°C (rough estimate)
• PKA: 3.09±0.50(Predicted)
• Flash Point: 120.541oC
• PSA: 114.37000
• Density: 1.7979 (rough estimate)
• LogP: 0.32950
• Storage Temp.: 0-6°C
• Solubility.: almost transparency in hot Methanol
• Water Solubility.: Reacts violently
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 147.03923904
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

99.9% ^*data from raw suppliers

N’-Nitro-N-nitroso-N-methylguanidine(StabilizedwithWater) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T;N,N,T
• Statements: 45-20-36/38-51/53
• Safety Statements: 53-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=N[N+](=O)[O-])N)N=O
• Isomeric SMILES: CN(/C(=N/[N+](=O)[O-])/N)N=O
• Uses: A DNA-damaging agent, used as a positive control in SHE cell transformation assays. Experimentally as carcinogen and mutagen. Formerly in preparation of diazomethane.

Technology Process of n-Methyl-n-nitro-n-nitrosoguanidine

There total 3 articles about n-Methyl-n-nitro-n-nitrosoguanidine 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:

N-methyl-N'-nitroguanidine (4245-76-5) → N-Methyl-N'-nitro-N-nitrosoguanidine (70-25-7)

Guidance literature:

With nitric acid; sodium nitrite; at 10 ℃;

DOI:10.1021/ja01185a516

Reference yield:

→ 1-(α-ethylbenzyl)-3-nitroguanidine + N-Methyl-N'-nitro-N-nitrosoguanidine (70-25-7)

Guidance literature:

Reference yield:

N-Methyl-N'-nitroguanidine (4245-76-5) → N-methyl-N''-nitro-N-nitrosoguanidine (70-25-7)

Guidance literature:

With nitric acid; sodium nitrite; In water; for 0.583333h; Cooling with ice;

DOI:10.1002/asia.201301242

upstream raw materials:

N-methyl-N'-nitroguanidine

N-Methyl-N'-nitroguanidine

Downstream raw materials:

piperidine-1-carbonimidic acid nitroamide

N-(3-amino-4-methyl-phenyl)-N'-nitro-guanidine

N-(2-chloro-ethyl)-N'-nitro-guanidine

1-[2]naphthylazo-[2]naphthylamine

Refernces

• 1、 -. "Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants". . . Retrieved 2008/06/13.