4-(Pyridin-4-yl)pyrrolidin-2-one
Basic information
- CAS
1268132-89-3- Standard SMILES
O=C1CC(c2ccncc2)CN1- InChIKey
NGECHVBQXAJIFW-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 4-(Pyridin-4-yl)pyrrolidin-2-one
- IUPAC
- 4-pyridin-4-ylpyrrolidin-2-one
- English name
- 4-(pyridin-4-yl)pyrrolidin-2-one
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
4-(pyridin-4-yl)pyrrolidin-2-one1268132-89-3RefChem:516854869-235-14-pyridin-4-ylpyrrolidin-2-one4-(4-pyridyl)pyrrolidin-2-oneTAC13289AKOS011353129EN300-246045F520626F8884-1316Z1251360630
Show more names
2-Pyrrolidinone, 4-(4-pyridinyl)-
Database identifiers
- CAS
1268132-89-3- PubChem CID
- 62074692
- EC Number
- 869-235-1
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 389.5 · 389.5±35.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 15.58 · 15.58±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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