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N-Methylsuccinimide

CAT: 0572-TRC-M329425-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M329425-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1121-07-9
Synonyms
1-Methyl-2,5-pyrrolidinedione; N-Methyl-2,5-pyrrolidinedione; NSC 11324
Hazard Statement
No Data Available
Smiles
CN1C(=O)CCC1=O
Molecular Formula
C5H7NO2
Molecular Weight
113.11
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Methylsuccinimide

in human urine and plasma is determined by organic solvent, N-methyl-2-pyrrolidone(NMP); structure for MSI in first source

CAS Number1121-07-9
PubChem CID70717
IUPAC Name1-methylpyrrolidine-2,5-dione
Molecular FormulaC5H7NO2
Molecular Weight113.11
XLogP-0.9
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity125
SMILES
CN1C(=O)CCC1=O
InChI
InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKey
KYEACNNYFNZCST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylsuccinimide
CAS: 1121-07-9
CID: 70717
Formula: C5H7NO2
MW: 113.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.11
XLogP3-0.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.047678466
Monoisotopic Mass113.047678466
Topological Polar Surface Area37.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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