Basic information
- CAS
52-44-8- Standard SMILES
O=C1NC(=O)C2(CCCCC2)C(=O)N1- InChIKey
NBLIVIWUPTWDMD-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- 2,4-Diazaspiro[5.5]undecane-1,3,5-trione
- IUPAC
- 2,4-diazaspiro[5.5]undecane-1,3,5-trione
- English name
- Spiro[pyrimidine-5,1'-cyclohexane]-2,4,6(1H,3H,5H)-trione
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
2,4-diazaspiro[5.5]undecane-1,3,5-trione52-44-8BRN 01950102,4-DIAZASPIRO(5.5)UNDECANE-1,3,5-TRIONEDTXSID101999545-24-09-00222 (Beilstein Handbook Reference)RefChem:82287DTXCID70122445827-927-0Spiro[pyrimidine-5,1'-cyclohexane]-2,4,6(1H,3H,5H)-trioneSCHEMBL4379931EN300-5031112
Show more names
Z1262691938
Database identifiers
- CAS
52-44-8- PubChem CID
- 5843
- DTXSID
DTXSID10199954- EC Number
- 827-927-0
- Nikkaji
- J40.862J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
LogP0.91
Physicochemical properties
- Boiling point
- 333.09 °C · 333.09°C (rough estimate)
- Density
- 1.2509 · 1.2509 (rough estimate)
- refractive index
- 1.5373 · 1.5373 (estimate)
- Water Solubility
- 170.7 mg/L · 170.7mg/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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