Basic information
- CAS
105479-05-8- Standard SMILES
O=C(CN1CCCC1=O)NCc1ccccc1- InChIKey
ZDRGKCOOCZCMQF-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 1-Pyrrolidineacetamide, 2-oxo-N-(phenylmethyl)-
- IUPAC
- N-benzyl-2-(2-oxopyrrolidin-1-yl)acetamide
- English name
- 1-Pyrrolidineacetamide,2-oxo-N-(phenylmethyl)-
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
105479-05-8BRN 42545781-Pyrrolidineacetamide, 2-oxo-N-(phenylmethyl)-1-Carboxymethylpyrrolidone-2 N-benzylamide2-Oxo-N-(phenylmethyl)-1-pyrrolidineacetamideDTXSID90147150RefChem:235151DTXCID3069641N-benzyl-2-(2-oxopyrrolidin-1-yl)acetamide1-Pyrrolidineacetamide,2-oxo-N-(phenylmethyl)-N-benzyl-2-(2-oxo-1-pyrrolidinyl)acetamideCBMicro_003850
Show more names
Cambridge id 6049466Oprea1_263406CHEMBL5306418SMSF0012456STL324802AKOS001595496CB05674BIM-0003945.P001
Database identifiers
- CAS
105479-05-8- PubChem CID
- 854073
- DTXSID
DTXSID90147150- ChEMBL
CHEMBL5306418- EC Number
- 143-837-8
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 110 · 110-112 °C
- Boiling point
- 512.3 · 512.3±43.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 15.11 · 15.11±0.46(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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. 4 (100%)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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