Nitralamine

Base Information

• Chemical Name: Nitralamine
• CAS No.: 71872-90-7
• Molecular Formula: C₁₀H₁₃ClN₂O₂S
• Molecular Weight: 260.744
• UNII: NQF1UJ4RHI
• DSSTox Substance ID: DTXSID20862667
• Nikkaji Number: J19.053E
• Wikidata: Q27284995
• ChEMBL ID: CHEMBL2111120
• Mol file: 71872-90-7.mol

Synonyms:Nitralamine;71872-90-7;NQF1UJ4RHI;UNII-NQF1UJ4RHI;Ethanamine, 2-((1-(2-chlorophenyl)-2-nitroethyl)thio)-;2-((o-Chloro-alpha-(nitromethyl)benzyl)thio)ethylamine;SC-12350;C10H13ClN2O2S.ClH;Nitralamine hydrochloride [USAN];NSC357114;C10-H13-Cl-N2-O2-S.Cl-H;CS-12350;Ethylamine, 2-[[o-chloro-.alpha.-(nitromethyl)benzyl]thio]-, monohydrochloride;CHEMBL2111120;DTXSID20862667;Q27284995;2-[1-(2-chlorophenyl)-2-nitro-ethyl]sulfanylethanamine;{[(.Alpha.-Nitromethyl)-o-chlorobenzylthio]ethylamine} hydrochloride;2-((O-CHLORO-.ALPHA.-(NITROMETHYL)BENZYL)THIO)ETHYLAMINE;(2-((2-Aminoethyl)thio)-2-(2-chlorophenyl)ethyl)(hydroxy)azane oxide;{2-[.Alpha.-(Nitromethyl)-2-chlorobenzylthio]ethylamine} hydrochloride;{2-[[o-Chloro-.alpha.-(nitromethyl)benzyl]thio]ethylamine} hydrochloride;{2-[o-Chloro-.alpha.-(nitromethyl)benzylthio]ethylamine} hydrochloride;{2-[[o-Chloro-.alpha.-(nitromethyl)benzyl]thio]ethylamine} monohydrochloride;Ethanamine, {2-[[1-(2-chlorophenyl)-2-nitroethyl]thio]-,} monohydrochloride;Ethylamine, {2-[[o-chloro-.alpha.-(nitromethyl)benzyl]thio]-,} hydrochloride;Ethylamine, {2-[[o-chloro-.alpha.-(nitromethyl)benzyl]thio]-,} monohydrochloride

Chemical Property of Nitralamine

Chemical Property:

• PSA: 97.14000
• LogP: 3.57320
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.0386265
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

NITRALAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(C[N+](=O)[O-])SCCN)Cl
• Uses: Antifungal.

Technology Process of Nitralamine

There total 2 articles about Nitralamine 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:

1-chloro-2-(2-nitrovinyl)benzene (22568-07-6,3156-34-1) + 2-mercaptoethylamine hydrochloride (156-57-0) → 2-<2-Chlor-α-nitromethyl-benzylmercapto>-ethylamin (71872-90-7)

Guidance literature:

With pyrrolidine;

DOI:10.1021/jm00327a019

Reference yield:

→ 2-<2-Chlor-α-nitromethyl-benzylmercapto>-ethylamin (71872-90-7)

Guidance literature:

entspr. Mercaptoalkylamin, entspr. β-Nitrostyrol;

upstream raw materials:

1-chloro-2-(2-nitrovinyl)benzene

2-mercaptoethylamine hydrochloride