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3-Morpholinosydnonimine

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Name

3-Morpholinosydnonimine

EINECS N/A
CAS No. 33876-97-0 Density g/cm3
PSA 67.28000 LogP -0.91150
Solubility H2O: >10 mg/mL Melting Point N/A
Formula C6H10 N4 O2 Boiling Point °Cat760mmHg
Molecular Weight 170.171 Flash Point °C
Transport Information N/A Appearance solid off-white
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 33876-97-0 (3-MORPHOLINOSYDNONIMINE) Hazard Symbols N/A
Synonyms

Sydnoneimine, 3-(4-morpholinyl)-; Sydnone imine, 3-morpholino- (8CI);3-Morpholinosydnonimine; Linsidomine; SIN 1; Sydnonimine-1

 

3-Morpholinosydnonimine Synthetic route

4319-49-7

1-aminomorpholine

50-00-0

formaldehyd

151-50-8

potassium cyanide

33876-97-0

3-Morpholinosydnonimine

Conditions
ConditionsYield
(i) H2O, (ii) NaNO2, aq. HCl, (iii) HCl, MeOH; Multistep reaction;
26263-64-9

N-morpholin-4-yl-glycine nitrile; hydrochloride

33876-97-0

3-Morpholinosydnonimine

Conditions
ConditionsYield
(i) aq. HCl, NaNO2, (ii) HCl, MeOH; Multistep reaction;
583-92-6

4-methylthio-2-oxobutanoic acid

33876-97-0

3-Morpholinosydnonimine

74-85-1

ethene

Conditions
ConditionsYield
In phosphate buffer at 35℃; for 1.66667h; pH=7.4; Product distribution; Kinetics; Further Variations:; in presence of cytosols and microsomes; Oxidation;
33876-97-0

3-Morpholinosydnonimine

26687-79-6

N-morpholino-N-nitroso-amino acetonitrile

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

3-Morpholinosydnonimine Chemical Properties

Molecule structure of 3-Morpholinosydnonimine (CAS NO.33876-97-0) :

IUPAC Name: 3-morpholin-4-yl-5-oxa-3-azonia-4-azanidacyclopent-2-en-1-imine 
Molecular Weight: 170.1692 g/mol
Molecular Formula: C6H10N4O2 
Appreance: off-white solid
Water Solubility: >10 mg/mL
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 170.080376
MonoIsotopic Mass: 170.080376
Topological Polar Surface Area: 49.6
Heavy Atom Count: 12
Complexity: 222
Canonical SMILES: C1COCCN1[N+]2=CC(=N)O[N-]2
InChI: InChI=1S/C6H10N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,7H,1-4H2
InChIKey of 3-Morpholinosydnonimine (CAS NO.33876-97-0) : FKDHHVKWGRFRTG-UHFFFAOYSA-N
Storage temp.: −20 °C

3-Morpholinosydnonimine Toxicity Data With Reference

1.    

slt-esc 1500 µLg/plate/1H

    MUREAV    Mutation Research. 497 (2001),159.

3-Morpholinosydnonimine Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
WGK Germany: 3

3-Morpholinosydnonimine Specification

 3-Morpholinosydnonimine (CAS NO.33876-97-0) is also called 3-Morpholinosydnonimine-1 ; CV 664 ; Linsidomina [Spanish] ; Linsidominum [Latin] ; UNII-5O5U71P6VQ ; 3-Morpholinosydnone imine .

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