Basic information
- CAS
2211041-37-9- Standard SMILES
Cc1ccc(CN2C(=O)CCC2C(=O)O)cc1- InChIKey
OJKNXYHTQNXSEG-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 1-[(4-Methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
- IUPAC
- 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Names & synonyms
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid2211041-37-987341-45-51-(4-Methylbenzyl)-5-oxopyrrolidine-2-carboxylic acidChemDiv2_003461SCHEMBL16601242HMS1378N07AKOS0081524441-(4-METHYLBENZYL)-5-OXOPROLINECS-0264694EU-0033285EN300-93917
Show more names
G44616SR-01000095851SR-01000095851-1Z1021465894
Database identifiers
- CAS
2211041-37-9- PubChem CID
- 4516602
- EC Number
- 114-737-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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