Basic information
- CAS
2580-58-7- Standard SMILES
O=C1NCN(CCO)CN1- InChIKey
XWAUFZXBGKOTGL-UHFFFAOYSA-N- Molecular formula
- C5H11N3O2
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.0851266
Names & identifiers
- Preferred name
- Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one
- IUPAC
- 5-(2-hydroxyethyl)-1,3,5-triazinan-2-one
- English name
- tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one
- Molecular formula
- C5H11N3O2
- Molecular weight
- 145.16
Names & synonyms
2580-58-7Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one7AK92A3D35EINECS 219-944-1NSC-47881DTXSID20180459NSC 478811,3,5-Triazin-2(1H)-one, tetrahydro-5-(2-hydroxyethyl)-1-(.BETA.-HYDROXYETHYL)-4-OXOHEXAHYDRO-1,3,5-TRIAZINERefChem:188631DTXCID801029501-(BETA-HYDROXYETHYL)-4-OXOHEXAHYDRO-1,3,5-TRIAZINE
Show more names
5-(2-Hydroxyethyl)hexahydro-1,3,5-triazin-2-one3,4,5,6-Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazin-2(1H)-one
219-944-15-(2-hydroxyethyl)-1,3,5-triazinan-2-oneMLS000736631NSC47881SCHEMBL268537UNII-7AK92A3D35CHEMBL1391511XWAUFZXBGKOTGL-UHFFFAOYSA-N
Database identifiers
- CAS
2580-58-7- PubChem CID
- 75741
- DTXSID
DTXSID20180459- ChEMBL
CHEMBL1391511- UNII
- 7AK92A3D35
- EC Number
- 219-944-1
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 158 · 158-162 °C
- Boiling point
- 444.5 · 444.5±35.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 14.56 · 14.56±0.10(Predicted)
- FDA UNII
- 7 AK92A3D35 · 7AK92A3D35
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…