Basic information
- CAS
163756-83-0- Standard SMILES
C[C@H]1CC(C)(C)C(=O)N1- InChIKey
UIHSTNXWLQMGGF-YFKPBYRVSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- (5S)-3,3,5-trimethylpyrrolidin-2-one
- IUPAC
- (5S)-3,3,5-trimethylpyrrolidin-2-one
Names & synonyms
(5S)-3,3,5-trimethylpyrrolidin-2-one163756-83-0RefChem:404450101-304-7(S)-3,3,5-Trimethylpyrrolidin-2-oneSCHEMBL1387914EN300-26919443
Database identifiers
- CAS
163756-83-0- PubChem CID
- 15638017
- EC Number
- 101-304-7
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
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
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…