Basic information
- CAS
61748-86-5- Standard SMILES
CC1C(=O)NC(=O)C1(C)C- InChIKey
SUPYQTKKYLUOBW-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- 3,3,4-Trimethylpyrrolidine-2,5-dione
- IUPAC
- 3,3,4-trimethylpyrrolidine-2,5-dione
- English name
- ALPHA,ALPHA-DIMETHYL-BETA-METHYLSUCCINIMIDE
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
3,3,4-Trimethylpyrrolidine-2,5-dionealpha,alpha-Dimethyl-beta-methylsuccinimideEINECS 262-956-7SUPYQTKKYLUOBW-UHFFFAOYSA-RefChem:485174262-956-7InChI=1/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)61748-86-52,2,3-TrimethylsuccinimideSCHEMBL1567354SCHEMBL8845283DTXSID40977328
Show more names
α,α-dimethyl-β-methylsuccinimide3,3,4-Trimethyl-2,5-pyrrolidinedioneALPHA,ALPHA-DIMETHYL-BETA-METHYL- SUCCINIMIDE, 99+%
MFCD000054973,3,4-trimethylazolidine-2,5-dioneAKOS0243488092,5-Pyrrolidinedione, 3,3,4-trimethyl-3,3,4-Trimethyl-2,5-pyrrolidinedione #DB-053982NS00053903ST50823732
Database identifiers
- CAS
61748-86-5- PubChem CID
- 550809
- DTXSID
DTXSID40977328- EC Number
- 262-956-7
- Nikkaji
- J149.894K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 119 · 119-121 °C(lit.)
- Boiling point
- 253.9 · 253.9±9.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Crystalline Powder
- pka
- 9.74 · 9.74±0.70(Predicted)
- color
- White
- InChI
- 1S/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)
- InChIKey
- SUPYQTKKYLUOBW-UHFFFAOYSA-N
- SMILES
- CC1C(=O)NC(=O)C1(C)C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
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 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29251900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usesα,α-Dimethyl-β-methylsuccinimide was used as internal standard in chiral gas chromatographic method for the resolution and quantification of ethosuximide enantiomers in biological fluids.
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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