325384
N-甲基琥珀酰亚胺
99%
别名:
1-甲基-2,5-吡咯烷二酮, N-甲基-2,5-吡咯烷二酮
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关于此项目
经验公式（希尔记法）:
C5H7NO2
化学文摘社编号:
分子量:
113.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
产品名称
N-甲基琥珀酰亚胺, 99%
InChI
1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
SMILES string
CN1C(=O)CCC1=O
InChI key
KYEACNNYFNZCST-UHFFFAOYSA-N
assay
99%
form
solid
bp
234-235 °C (lit.)
mp
61-70 °C (lit.)
functional group
imide
Quality Level
Application
N-甲基琥珀酰亚胺被用作模式化合物用于通过密度泛函理论（DFT）计算对烯醇化步骤的机理进行研究。
General description
N-甲基琥珀酰亚胺是N-甲基-2-吡咯烷酮（NMP）的一种代谢产物，在血浆和尿液中可用作暴露于NMP的一种生物标志物。通过红外光谱法对N-甲基琥珀酰亚胺和酚之间的氢键配合物（pKa = 10.2 → 6）进行了研究。
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Ohgi Takahashi et al.
Chemistry & biodiversity, 7(6), 1349-1356 (2010-06-22)
Racemization of aspartic acid residues in peptides and proteins is assumed to proceed via succinimide intermediates. An enolization of the succinimide intermediate is required for the racemization to occur. In this study, we modeled the enolization step by density-functional theory
N-Methylsuccinimide in plasma and urine as a biomarker of exposure to N-methyl-2-pyrrolidone.
Jonsson BAG and ?kesson B.
International Archives of Occupational and Environmental Health, 74(4), 289-294 (2004)
nfrared Study of the Hydrogen Bond Complexes Between N-Methylsuccinimide and Phenols.
Bruyneel K, et al.
Spectroscopy Letters, 29(4), 739-747 (1996)
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