1,3-Dimethyl-1,3-diazinane-2,4-dione
Basic information
- CAS
4874-13-9- Standard SMILES
CN1CCC(=O)N(C)C1=O- InChIKey
BVYOHIBNWMCUSW-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.07422757
Names & identifiers
- Preferred name
- 1,3-Dimethyl-1,3-diazinane-2,4-dione
- IUPAC
- 1,3-dimethyl-1,3-diazinane-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione, dihydro-1,3-dimethyl-
- Molecular formula
- C6H10N2O2
- Molecular weight
- 142.16
Names & synonyms
1,3-dimethyl-1,3-diazinane-2,4-dioneRefChem:414540853-875-34874-13-92,4(1H,3H)-Pyrimidinedione, dihydro-1,3-dimethyl-1,3-Dimethyl-5,6-dihydrouracilSCHEMBL5897167DTXSID70343219BVYOHIBNWMCUSW-UHFFFAOYSA-NEAA87413EN300-865160F21298
Show more names
1,3-Dimethyldihydro-2,4(1H,3H)-pyrimidinedione
1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione1,3-Dimethyldihydro-2,4(1H,3H)-pyrimidinedione #Dihydro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
4874-13-9- PubChem CID
- 588295
- DTXSID
DTXSID70343219- EC Number
- 853-875-3
- Nikkaji
- J851.297C
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 51 · 51-52 °C
- Boiling point
- 206.5 · 206.5±23.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- -1.72 · -1.72±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- 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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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