Basic information
- CAS
134-97-4- Standard SMILES
CCN1CN(CO)C(=O)N(CO)C1- InChIKey
PTNSEMBHJXYTES-UHFFFAOYSA-N- Molecular formula
- C7H15N3O3
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.11134135
Names & identifiers
- Preferred name
- 1,3,5-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-
- IUPAC
- 5-ethyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one
- English name
- 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
- Molecular formula
- C7H15N3O3
- Molecular weight
- 189.21
Names & synonyms
1,3,5-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-DTXSID7059644RefChem:412497DTXCID10341835-ethyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one134-97-45-Ethyltetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-onePermafresh SWPROX RXEINECS 205-168-0BRN 0610882Tetrahydro-1,3-bis(hydroxymethyl)-5-ethyl-1,3,5-triazin-2(1H)-one
Show more names
5-ethyl-1,3-bis-hydroxymethyl-[1,3,5]triazinan-2-one5-Ethyl-3,4,5,6-tetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
SCHEMBL196659PTNSEMBHJXYTES-UHFFFAOYSA-N1,3,5-Triazin-2(1H)-one, tetrahydro-1,3-bis(hydroxymethyl)-5-ethyl-NS00024365
Database identifiers
- CAS
134-97-4- PubChem CID
- 67261
- DTXSID
DTXSID7059644
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 324.47 °C · 324.47°C (rough estimate)
- Density
- 1.2386 · 1.2386 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 14.2 · 14.20±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3,5-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)- (134-97-4)
- 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-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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