1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione
Basic information
- CAS
101289-49-0- Standard SMILES
CCC1(c2ccccc2)C(=O)N(C(C)=O)CN(C(C)=O)C1=O- InChIKey
CTFNIOFYXYHXHZ-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.12665706
Names & identifiers
- Preferred name
- 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione
- IUPAC
- 1,3-diacetyl-5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
- English name
- 1,3-diacetyl-5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
- Molecular formula
- C16H18N2O4
- Molecular weight
- 302.32512
Names & synonyms
1,3-DIACETYL-5-ETHYL-5-PHENYLHEXAHYDROPYRIMIDINE-4,6-DIONERefChem:414221101289-49-0665-424-61,3-diacetyl-5-ethyl-5-phenyldihydropyrimidine-4,6(1H,5H)-dioneSTK257523AKOS0054237391,3-diacetyl-5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
Database identifiers
- CAS
101289-49-0- PubChem CID
- 4454978
- EC Number
- 665-424-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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