Basic information
- CAS
1497268-53-7- Standard SMILES
CC(C)(C)CC1CNC(=O)C1- InChIKey
IOAKCJZKHOTURW-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 4-(2,2-Dimethylpropyl)pyrrolidin-2-one
- IUPAC
- 4-(2,2-dimethylpropyl)pyrrolidin-2-one
- English name
- 4-(2,2-dimethylpropyl)pyrrolidin-2-one
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
4-(2,2-dimethylpropyl)pyrrolidin-2-one1497268-53-7SCHEMBL19486191XJC26853AKOS015449790CS-0236502EN300-171598Z12702556722-Pyrrolidinone, 4-(2,2-dimethylpropyl)-
Database identifiers
- CAS
1497268-53-7- PubChem CID
- 66106946
- EC Number
- 884-547-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 276.9 · 276.9±9.0 °C(Predicted)
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
- pka
- 16.62 · 16.62±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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