Basic information
- CAS
1753-47-5- Standard SMILES
CN(C)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1- InChIKey
NAPLVLRBYHFCJP-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-(dimethylamino)phenyl)methylene)-
- IUPAC
- 5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
- English name
- 5-[[4-(dimethylamino)phenyl]methylene]barbituric acid
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
Names & synonyms
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-(dimethylamino)phenyl]methylene]-EINECS 217-140-5DTXSID2074952NSC 939625-((4-(Dimethylamino)phenyl)methylene)barbituric acid5-[[4-(DIMETHYLAMINO)PHENYL]METHYLENE]BARBITURIC ACID2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-(dimethylamino)phenyl)methylene)-RefChem:442814DTXCID6035576217-140-51753-47-55-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
Show more names
5-(4-Dimethylaminobenzylidene)barbituric acid5-[[4-(Dimethylamino)phenyl]methylen]barbitursure5-[4-(N,N-Dimethylamino)benzylidene]barbituric acidDMBA [5-[4-(Dimethylaminobenzylidene)barbituric acidHexahydro-5-[4-(dimethylamino)benzylidene]pyrimidine-2,4,6-trioneTIANFU-CHEM - 5-[[4-(dimethylamino)phenyl]methylene]barbituric acid5-[[4-(Dimethylamino)phenyl]methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
MLS002695230CHEMBL2580805-(4-(dimethylamino)benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trioneNSC6365995-(4-(Dimethylamino)benzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione5-[4-(Dimethylamino)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione5-[4-(dimethylamino)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Melting point
- 262 · 262-263 °C
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 7.48 · 7.48±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-(dimethylamino)phenyl]methylene]- (1753-47-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-(dimethylamino)phenyl]methylene]-: ACTIVE
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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