1-Cyclohexyl-5-ethylbarbituric acid
Basic information
- CAS
837-32-1- Standard SMILES
CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
WCCUCVYMWMWXAG-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 1-Cyclohexyl-5-ethylbarbituric acid
- IUPAC
- 1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-ethylbarbituric acid
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
1-Cyclohexyl-5-ethylbarbituric acidRefChem:431714212-653-0837-32-11-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trioneBRN 0888427EINECS 212-653-0BARBITURIC ACID, 1-CYCLOHEXYL-5-ETHYL-1-Cyclohexyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-ethyl-SCHEMBL94928Barbituric Acid Impurity 15
Show more names
Moxifloxacin Impurity 1473-Cyclohexyl-5-ethylbarbituric acidN-CYCLOHEXYL-5-ETHYL BARBITURIC ACID5-Ethyl-1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione1-Cyclohexyl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
SCHEMBL4331098WCCUCVYMWMWXAG-UHFFFAOYSA-NDTXSID801003700MFCD016659471-cyclohexyl-5-ethyl-barbituric acidNS00042875G842793-Cyclohexyl-5-ethyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
837-32-1- PubChem CID
- 13276
- DTXSID
DTXSID801003700- EC Number
- 212-653-0
- Nikkaji
- J54.733F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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