N-Methylsuccinimide
Basic information
- CAS
1121-07-9- Standard SMILES
CN1C(=O)CCC1=O- InChIKey
KYEACNNYFNZCST-UHFFFAOYSA-N- Molecular formula
- C5H7NO2
- Average molar mass
- 113.11 g/mol
- Monoisotopic mass
- 113.04767847
Overview
in human urine and plasma is determined by organic solvent, N-methyl-2-pyrrolidone(NMP); structure for MSI in first source
Names & identifiers
- Preferred name
- N-Methylsuccinimide
- IUPAC
- 1-methylpyrrolidine-2,5-dione
- English name
- N-Methylsuccinimide
- Molecular formula
- C5H7NO2
- Molecular weight
- 113.11
Names & synonyms
N-Methylsuccinimide1121-07-92,5-Pyrrolidinedione, 1-methyl-FT9GT286W2DTXSID40149902NSC-11324RefChem:445106DTXCID1072393628-414-21-methylpyrrolidine-2,5-dione1-Methyl-2,5-pyrrolidinedioneSuccinimide, N-methyl-
Show more names
N-MethylsuccinimidN-Methylsuccinimide>N-Methylsuccinimide,99%N-Methylsuccinimide, 98%+1-methyl-5-pyrrolidinedione2,5-Pyrrolidinedione,1-methyl-
MFCD00005517N-METHYL SUCCINIMIDEUNII-FT9GT286W2SCHEMBL279411-Methyl-pyrrolidine-2,5-dioneAC-15701D70368EN300-211529
Database identifiers
- CAS
1121-07-9- PubChem CID
- 70717
- DTXSID
DTXSID40149902- ChEMBL
CHEMBL317929- UNII
- FT9GT286W2
- EC Number
- 628-414-2
- Nikkaji
- J45.655A
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Succinimides
SpringerMaterials PropertiesChemical shift
LogP-0.95
Vapor Pressure0.000192 [mmHg]
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 61 · 61-70 °C(lit.)
- Boiling point
- 234 · 234-235 °C(lit.)
- Density
- 1.2416 · 1.2416 (rough estimate)
- refractive index
- 1.479 · 1.4790 (estimate)
- Flash point
- 234 · 234-235°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.
Warning
H315 (93.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses changes in food intake in 10-day and 13-day oral studies of rats; [RTECS] An irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (93.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- UY1028650
- hs_code
- 2925.19.9100
- risk_code
- 22-36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
UsesN-Methylsuccinimide is used as a model compound to investigate the mechanism of enolization step by density-functional theory (DFT) calculations. N-Methylsuccinimide is a metabolite of N-methyl-2-pyrrolidone (NMP) and its presence in plasma and urine can be used as a biomarker of exposure to NMP
General DescriptionN-Methylsuccinimide is a metabolite of N-methyl-2-pyrrolidone (NMP) and its presence in in plasma and urine can be used as a biomarker of exposure to NMP. Hydrogen bonded complexes between N-methylsuccinimide and phenols (pKa = 10.2 → 6) are investigated by infrared spectrometry.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
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Compound notes
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