Basic information
- CAS
26028-46-6- Standard SMILES
CC(=O)N1CN(C(C)=O)CN(C(C)=O)C1- InChIKey
OAQRIDXOGCNRLX-UHFFFAOYSA-N- Molecular formula
- C9H15N3O3
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.11134135
Names & identifiers
- Preferred name
- 1,3,5-Triacetylhexahydro-1,3,5-triazine
- IUPAC
- 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)ethanone
- English name
- 1,3,5-triacetylhexahydro-1,3,5-triazine
- Molecular formula
- C9H15N3O3
- Molecular weight
- 213.23
Names & synonyms
26028-46-61,1',1''-(1,3,5-triazinane-1,3,5-triyl)triethanone1,3,5-Triacetylhexahydro-1,3,5-triazineZQ9WLC2XZP1,3,5-triacetyl-1,3,5-triazinane1-(3,5-diacetyl-1,3,5-triazinan-1-yl)ethanoneNSC-1948381,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tri(ethan-1-one)1-(3,5-Diacetyl-[1,3,5]triazinan-1-yl)-ethanone1-(3,5-DIACETYL-(1,3,5)TRIAZINAN-1-YL)-ETHANONEEINECS 247-418-1NSC194838
Show more names
Ethanone, 1,1',1''-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-
s-Triazine, 1,3,5-triacetylhexahydro-UNII-ZQ9WLC2XZP1,3,5-Triazine, 1,3,5-triacetylhexahydro-MLS000682830SCHEMBL8594496CHEMBL1704464DTXSID801806721,5-Triacetylhexahydro-s-triazine
Database identifiers
- CAS
26028-46-6- PubChem CID
- 33271
- DTXSID
DTXSID80180672- ChEMBL
CHEMBL1704464- UNII
- ZQ9WLC2XZP
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 96 · 96-98 °C
- Boiling point
- 488.6 · 488.6±40.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- -0.82 · -0.82±0.20(Predicted)
- FDA UNII
- 9 WLC2XZP · ZQ9WLC2XZP
Chemistry & industry
Suppliers2 total
南京聚柏生物医药科技有限公司13585203734 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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