Basic information
- CAS
102716-78-9- Standard SMILES
CCCCC1NC(=O)NC1=O- InChIKey
JZBMVRBRZUZZCT-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Names & identifiers
- Preferred name
- 5-Butylimidazolidine-2,4-dione
- IUPAC
- 5-butylimidazolidine-2,4-dione
- English name
- 5-Butylimidazolidine-2,4-dione
- Molecular formula
- C7H12N2O2
- Molecular weight
- 156.18
Names & synonyms
5-butylimidazolidine-2,4-dione102716-78-9SCHEMBL194066SCHEMBL11591811DTXSID601033907CEA71678AKOS00950714987052-64-0CS-0251682EN300-55742G20277Z425426760
Show more names
2,4-Imidazolidinedione, 5-butyl-
Database identifiers
- CAS
102716-78-9、87052-64-0- PubChem CID
- 13239554
- DTXSID
DTXSID601033907- EC Number
- 164-214-7
- Nikkaji
- J1.465.459C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 137 · 137-139 °C
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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