Basic information
- CAS
77-03-2- Standard SMILES
CCC1(CC)C(=O)CCNC1=O- InChIKey
RGEVWUKXWFOAID-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Overview
Piperidione is a member of piperidones.
Names & identifiers
- Preferred name
- 3,3-Diethyl-2,4-piperidinedione
- IUPAC
- 3,3-diethylpiperidine-2,4-dione
- English name
- 3,3-diethylpiperidine-2,4-dione
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
PIPERIDIONEDihyprylone77-03-23,3-Diethyl-2,4-dioxopiperidine3,3-Diethyl-2,4-piperidinedioneBZ6KL0Q8UD2,4-Piperidinedione, 3,3-diethyl-NSC-75628DTXSID30227804NSC75628RefChem:485251DTXCID40150295
Show more names
200-999-53,3-Diethylpiperidine-2,4-dioneDihyprylonSedulonPiperidionAscronSedilanNu 1510
Database identifiers
- CAS
77-03-2- PubChem CID
- 6465
- DTXSID
DTXSID30227804- ChEMBL
CHEMBL3707370- ChEBI
CHEBI:81302- UNII
- BZ6KL0Q8UD
- EC Number
- 200-999-5
- Nikkaji
- J4.192K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 102 · 102-107°
- Boiling point
- 298.52 °C · 298.52°C (rough estimate)
- Density
- 1.0873 · 1.0873 (rough estimate)
- refractive index
- 1.42 · 1.4200 (estimate)
- pka
- 12.07 · 12.07±0.70(Predicted)
- CAS DataBase Reference
- 77 · 77-03-2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 KL0Q8UD · BZ6KL0Q8UD
- ATC code
- 5 DB23 · R05DB23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesPiperidione is a cough agent[1].
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Piperidione is a member of piperidones.
Related reactions
1 records
Compound notes
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