(4-Morpholinylnitrosoamino)acetonitrile

Base Information

• Chemical Name: (4-Morpholinylnitrosoamino)acetonitrile
• CAS No.: 26687-79-6
• Molecular Formula: C6H10 N4 O2
• Molecular Weight: 171.17714
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80949504
• Nikkaji Number: J34.414A
• Wikidata: Q82927410
• Mol file: 26687-79-6.mol

Synonyms:N-nitrosomorpholinoaminoacetonitrile;SIN 1A;SIN-1A

Chemical Property of (4-Morpholinylnitrosoamino)acetonitrile

Chemical Property:

• Vapor Pressure: 0.00143mmHg at 25°C
• Boiling Point: 296.5°Cat760mmHg
• PKA: -6.51±0.50(Predicted)
• Flash Point: 133.1°C
• PSA: 68.93000
• Density: 1.33g/cm³
• LogP: -0.32152
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 170.08037557
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1N(CC#N)N=O

Technology Process of (4-Morpholinylnitrosoamino)acetonitrile

There total 2 articles about (4-Morpholinylnitrosoamino)acetonitrile 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:

molsidomine → N-morpholino-N-nitroso-amino acetonitrile (26687-79-6) + 2-(morpholinoimino)acetonitrile (26179-71-5) + [(E)-2-Oxo-morpholin-4-ylimino]-acetonitrile (56313-71-4) + [N'-[1-Cyano-meth-(E)-ylidene]-N-(2-hydroxy-ethyl)-hydrazino]-acetic acid (56313-72-5) + C6H11N4O2(1-)*H(1+)

Guidance literature:

With SR-A capsule; at 37 ℃; for 12h; velocity of metabolism in dogs and monkeys;

DOI:10.1248/cpb.34.1257

Reference yield:

3-morpholinosydnonymine (33876-97-0) → N-morpholino-N-nitroso-amino acetonitrile (26687-79-6)

Guidance literature:

With GLUTATHIONE; In phosphate buffer; at 37 ℃; pH=7.4; Further Variations:; Reagents; Kinetics;

DOI:10.1124/mol.54.1.207

Reference yield:

N-morpholino-N-nitroso-amino acetonitrile (26687-79-6) → 2-(morpholinoimino)acetonitrile (26179-71-5)

Guidance literature:

With GLUTATHIONE; oxygen; In phosphate buffer; at 37 ℃; pH=7.4; Further Variations:; Reagents; Kinetics;

DOI:10.1124/mol.54.1.207

upstream raw materials:

3-morpholinosydnonymine

Downstream raw materials:

2-(morpholinoimino)acetonitrile

Refernces

• 1、 Morimoto,Yamashita,Koyama,Fujimoto,Toguchi,Kitamori. "Evaluation of sustained-release capsules of molsidomine (SIN-10) in dogs and monkeys". . p. 1257 - 1263. Retrieved 2007/10/02.