5,5-Diethylhydantoin
Basic information
- CAS
5455-34-5- Standard SMILES
CCC1(CC)NC(=O)NC1=O- InChIKey
GWTZZUPJEUZZLU-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Overview
RN given refers to unlabeled parent cpd
Names & identifiers
- Preferred name
- 5,5-Diethylhydantoin
- IUPAC
- 5,5-diethylimidazolidine-2,4-dione
- English name
- 5,5-diethylhydantoin
- Molecular formula
- C7H12N2O2
- Molecular weight
- 156.18
Names & synonyms
5455-34-55,5-DiethylhydantoinHydantoin, 5,5-diethyl-2,4-Imidazolidinedione, 5,5-diethyl-WRD19H6GXANSC-172111DTXSID10202972RefChem:101028DTXCID401254635,5-diethylimidazolidine-2,4-dione5,5-Diethyl-imidazolidine-2,4-dione5,5-DIETHYL-2,4-IMIDAZOLIDINEDIONE
Show more names
MFCD03951035DiathylhydantoinNSC 172111Hydantoin,5-diethyl-2, 5,5-diethyl-UNII-WRD19H6GXAMLS000048770SCHEMBL1404437
Database identifiers
- CAS
5455-34-5- PubChem CID
- 21600
- DTXSID
DTXSID10202972- ChEMBL
CHEMBL1386321- UNII
- WRD19H6GXA
- EC Number
- 864-128-6
- Nikkaji
- J143.049A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 166 °C · 166 °C
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 8.93 · 8.93±0.10(Predicted)
- FDA UNII
- 19 H6GXA · WRD19H6GXA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302+H332
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302+H332
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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