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33876-97-0

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Basic Information
CAS No.: 33876-97-0
Name: 3-MORPHOLINOSYDNONIMINE
Molecular Structure:
Molecular Structure of 33876-97-0 (3-MORPHOLINOSYDNONIMINE)
Formula: C6H10 N4 O2
Molecular Weight: 170.171
Synonyms: Sydnoneimine, 3-(4-morpholinyl)-; Sydnone imine, 3-morpholino- (8CI);3-Morpholinosydnonimine; Linsidomine; SIN 1; Sydnonimine-1
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: H2O: >10 mg/mL
Appearance: solid off-white
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 67.28000
LogP: -0.91150
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33876-97-0

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Conditions
ConditionsYield
(i) H2O, (ii) NaNO2, aq. HCl, (iii) HCl, MeOH; Multistep reaction;
...Expand
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N-morpholin-4-yl-glycine nitrile; hydrochloride

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Conditions
ConditionsYield
(i) aq. HCl, NaNO2, (ii) HCl, MeOH; Multistep reaction;
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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;
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3-Morpholinosydnonimine

26687-79-6

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

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

Toxicity Data With Reference

1.    

slt-esc 1500 µLg/plate/1H

     MUREAV    Mutation Research. 497 (2001),159.

Safety Profile

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

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 .