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Substance Name: 2,5-Pyrrolidinedione, 1-methyl-
RN: 1121-07-9
InChIKey: KYEACNNYFNZCST-UHFFFAOYSA-N

Molecular Formula

  • C5-H7-N-O2

Molecular Weight

  • 113.115
 
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Names and Synonyms

Synonym

  • AI3-07107

Systematic Name

  • 2,5-Pyrrolidinedione, 1-methyl-

Registry Numbers

CAS Registry Number

  • 1121-07-9

System Generated Number

  • 0001121079

Structure Descriptors

InChI

1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3

InChIKey

KYEACNNYFNZCST-UHFFFAOYSA-N

Smiles

CN1C(=O)CCC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   French Demande Patent Document. Vol. #2509610,
rat LD50 oral > 6gm/kg (6000mg/kg)   French Demande Patent Document. Vol. #2509610,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 71 deg C   EXP
Boiling Point 234 deg C   EXP
log P (octanol-water) -0.95 (none)   EXP
Water Solubility 6.88E+05 mg/L 25 EST
Vapor Pressure 1.92E-04 mm Hg 25 EST
Henry's Law Constant 5.56E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.91E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.