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78308-53-9

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Basic Information
CAS No.: 78308-53-9
Name: ammonium 3-methyl-4-oxo-4,5-dihydro-1H-pyrrol-2-olate
Molecular Structure:
Molecular Structure of 78308-53-9 (ammonium 3-methyl-4-oxo-4,5-dihydro-1H-pyrrol-2-olate)
Formula: C5H6NO2•H4N
Molecular Weight: 130.17
Density: g/cm3
Boiling Point: 250.3°Cat760mmHg
Flash Point: 105.2°C
Safety: Moderately toxic by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and NH3.
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Chemistry

IUPAC Name: Azanium 4-methyl-3-oxo-1,2-dihydropyrrol-5-olate
Synonyms of 3-Methyl-4-hydroxy-3-pyrrolin-2-one ammonium salt (CAS NO.78308-53-9): Ammoniumsalz des alpha-methyl-beta-hydroxy-delta(sup alpha,beta)-butycolactam ; Ammoniumsalz des alpha-methyl-beta-hydroxy-delta(sup alpha,beta)-butycolactam [German] ; 3-Pyrrolin-2-one, 4-hydroxy-3-methyl-, ammonium salt
CAS NO: 78308-53-9
Molecular Formula of 3-Methyl-4-hydroxy-3-pyrrolin-2-one ammonium salt (CAS NO.78308-53-9): C5H10N2O2
Molecular Weight: 130.1451
Molecular Structure:

H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 40.54 Å2
Flash Point of 3-Methyl-4-hydroxy-3-pyrrolin-2-one ammonium salt (CAS NO.78308-53-9): 105.2 °C
Enthalpy of Vaporization: 56.65 kJ/mol
Boiling Point: 250.3 °C at 760 mmHg
Vapour Pressure: 0.00347 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1150mg/kg (1150mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 277, 1961.
mouse LD50 subcutaneous 2gm/kg (2000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 277, 1961.

Safety Profile

Moderately toxic by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and NH3.