Home Other Building Blocks 2,5-Pyrrolidinedione, 3-hydroxy-1-methyl-

2,5-Pyrrolidinedione, 3-hydroxy-1-methyl-

CAS No.:
19948-27-7
Catalog Number:
AG002C4Z
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
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Product Description
Catalog Number:
AG002C4Z
Chemical Name:
2,5-Pyrrolidinedione, 3-hydroxy-1-methyl-
CAS Number:
19948-27-7
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
MDL Number:
MFCD04118117
IUPAC Name:
3-hydroxy-1-methylpyrrolidine-2,5-dione
InChI:
InChI=1S/C5H7NO3/c1-6-4(8)2-3(7)5(6)9/h3,7H,2H2,1H3
InChI Key:
NLKACWKSCREJEL-UHFFFAOYSA-N
SMILES:
OC1CC(=O)N(C1=O)C
NSC Number:
92546
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
129.115g/mol
Monoisotopic Mass:
129.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Quantification of four major metabolites of embryotoxic N-methyl- and N-ethyl-2-pyrrolidone in human urine by cooled-injection gas chromatography and isotope dilution mass spectrometry. Analytical chemistry 20120417
Embryotoxic potential of N-methyl-pyrrolidone (NMP) and three of its metabolites using the rat whole embryo culture system. Toxicology and applied pharmacology 20090601
Human experimental exposure study on the uptake and urinary elimination of N-methyl-2-pyrrolidone (NMP) during simulated workplace conditions. Archives of toxicology 20070501
Human volunteer study on the influence of exposure duration and dilution of dermally applied N-methyl-2-pyrrolidone (NMP) on the urinary elimination of NMP metabolites. International archives of occupational and environmental health 20070201
Comparative developmental toxicities of the three major metabolites of N-methyl-2-pyrrolidone after oral administration in rats. Journal of applied toxicology : JAT 20070101
Human experimental exposure to N-methyl-2-pyrrolidone (NMP): toxicokinetics of NMP, 5-hydroxy- N-methyl-2-pyrrolidone, N-methylsuccinimide and 2-hydroxy- N-methylsuccinimide (2-HMSI), and biological monitoring using 2-HMSI as a biomarker. International archives of occupational and environmental health 20030501
Determination of 5-hydroxy-N-methyl-2-pyrrolidone and 2-hydroxy-N-methylsuccinimide in human plasma and urine using liquid chromatography-electrospray tandem mass spectrometry. Journal of chromatography. B, Biomedical sciences and applications 20010915
Properties