1,3,5-Triazine-2-acetamide, 1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-
Basic information
- CAS
68957-43-7- Standard SMILES
COc1ccccc1NC(=O)Cc1nc(=O)[nH]c(=O)[nH]1- InChIKey
WZQRSZBDOYBYFK-UHFFFAOYSA-N- Molecular formula
- C12H12N4O4
- Average molar mass
- 276.25 g/mol
- Monoisotopic mass
- 276.08585488
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2-acetamide, 1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-
- IUPAC
- 2-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide
- English name
- 1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-1,3,5-triazin-2-acetamide
- Molecular formula
- C12H12N4O4
- Molecular weight
- 276.25
Names & synonyms
1,3,5-Triazine-2-acetamide, 1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-68957-43-7W2SZ2EQN3LEINECS 273-340-2NSC-319044DTXSID40718972-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamideNSC 3190441,4,5,6-Tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-1,3,5-triazine-2-acetamideRefChem:72322DTXCID2046385273-340-2
Show more names
MLS003115963NSC319044UNII-W2SZ2EQN3LCHEMBL2143569WZQRSZBDOYBYFK-UHFFFAOYSA-N1,4,5,6-Tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-1,3,5-triazin-2-acetamideSMR001831523NS00036771
Database identifiers
- CAS
68957-43-7- PubChem CID
- 100557
- DTXSID
DTXSID4071897- ChEMBL
CHEMBL2143569- UNII
- W2SZ2EQN3L
- EC Number
- 273-340-2
- Nikkaji
- J310.617I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Density
- 1.492 · 1.492±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.673 · 5.673±0.70(predicted)
- FDA UNII
- 2 SZ2EQN3L · W2SZ2EQN3L
- EPA Substance Registry System
- 1 · 1,3,5-Triazine-2-acetamide, 1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo- (68957-43-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine-2-acetamide, 1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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