Basic information
- CAS
68160-48-5- Standard SMILES
CCC1(CCBr)C(=O)NC(=O)NC1=O- InChIKey
LJVTYPFTOBMROG-UHFFFAOYSA-N- Molecular formula
- C8H11BrN2O3
- Average molar mass
- 263.09 g/mol
- Monoisotopic mass
- 261.9953
Overview
See also: 5-(2-Bromo-ethyl)-5-ethyl-pyrimidine-2,4,6-trione (annotation moved to).
Names & identifiers
- Preferred name
- 5-(2-Bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Bromo-ethyl)-5-ethyl-pyrimidine-2,4,6-trione
- Molecular formula
- C8H11BrN2O3
- Molecular weight
- 263.09
Names & synonyms
5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione68160-48-5NSC469025-(2-bromoethyl)-5-ethylpyrimidine-2,4,6(1h,3h,5h)-trioneDTXSID30286658NSC-46902AKOS0243412275-(2-bromoethyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione6JW5-(2-Bromo-ethyl)-5-ethyl-pyrimidine-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromoethyl)-5-ethyl-
Database identifiers
- CAS
68160-48-5- PubChem CID
- 240551
- DTXSID
DTXSID30286658
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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