1-Ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Basic information
- CAS
52977-50-1- Standard SMILES
CCn1c(=O)n(CO)c(=O)n(CO)c1=O- InChIKey
VDFTZATURBOYAX-UHFFFAOYSA-N- Molecular formula
- C7H11N3O5
- Average molar mass
- 217.18 g/mol
- Monoisotopic mass
- 217.06987046
Names & identifiers
- Preferred name
- 1-Ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 1-ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
- English name
- 1-ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- Molecular formula
- C7H11N3O5
- Molecular weight
- 217.18
Names & synonyms
52977-50-1EINECS 258-284-91-Ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trioneDTXSID402010141,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-ethyl-3,5-bis(hydroxymethyl)-RefChem:75735DTXCID40123505258-284-91-ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trioneSCHEMBL26452124VDFTZATURBOYAX-UHFFFAOYSA-NDB-312140
Show more names
NS00032631
Database identifiers
- CAS
52977-50-1- PubChem CID
- 104374
- DTXSID
DTXSID40201014- EC Number
- 258-284-9
- Nikkaji
- J295.851A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 412.2 · 412.2±30.0 °C(Predicted)
- Density
- 1.509 · 1.509±0.06 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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