Basic information
- CAS
1001390-60-8- Standard SMILES
CCN1C(=O)CCC1C(=O)O- InChIKey
AGWPBFFUIGQGJG-UHFFFAOYSA-N- Molecular formula
- C7H11NO3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.07389321
Names & identifiers
- Preferred name
- 1-Ethyl-5-oxopyrrolidine-2-carboxylic acid
- IUPAC
- 1-ethyl-5-oxopyrrolidine-2-carboxylic acid
Names & synonyms
1-ethyl-5-oxopyrrolidine-2-carboxylic acid1001390-60-8RefChem:432584991-692-1SCHEMBL1651090BQB39060MFCD15730152AKOS012171960AT19159SY4750151-ethyl-5-oxopyrrolidine-2-carboxylicacidethyl-5-oxo-2-pyrrolidine-carboxylic acid
Show more names
1-ethyl-5-oxo-pyrrolidine-2-carboxylic acidEN300-718785
Database identifiers
- CAS
1001390-60-8- PubChem CID
- 19002576
- EC Number
- 991-692-1
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
6 records
Compound notes
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