2-Oxo-1-phenylpiperidine-3-carboxylic acid
Basic information
- CAS
197973-92-5- Standard SMILES
O=C(O)C1CCCN(c2ccccc2)C1=O- InChIKey
ZKVHCSGIMKBCIM-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 2-Oxo-1-phenylpiperidine-3-carboxylic acid
- IUPAC
- 2-oxo-1-phenylpiperidine-3-carboxylic acid
- English name
- 2-oxo-1-phenyl-3-Piperidinecarboxylic acid
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
2-oxo-1-phenylpiperidine-3-carboxylic acid197973-92-5RefChem:477654855-597-8SCHEMBL8431884ZKVHCSGIMKBCIM-UHFFFAOYSA-N3-Carboxy-1-phenyl-2-piperidinoneAKOS023369326DA-085772-oxo-1-phenylpiperidine-3-carboxylicacidEN300-1907262-oxo-1-phenyl-3-Piperidinecarboxylic acid
Show more names
3-Piperidinecarboxylic acid, 2-oxo-1-phenyl-
Database identifiers
- CAS
197973-92-5- PubChem CID
- 19597331
- EC Number
- 855-597-8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 497 · 497.0±38.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 3.55 · 3.55±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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
- H335-H302-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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