Basic information
- CAS
54581-55-4- Standard SMILES
OCCNc1nc(Cl)nc(NCCO)n1- InChIKey
XWGOYJWQFZCFNN-UHFFFAOYSA-N- Molecular formula
- C7H12ClN5O2
- Average molar mass
- 233.65 g/mol
- Monoisotopic mass
- 233.0679523
Names & identifiers
- Preferred name
- 2,2'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisethanol
- IUPAC
- 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
- English name
- 2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bisethanol
- Molecular formula
- C7H12ClN5O2
- Molecular weight
- 233.66
Names & synonyms
54581-55-42,2'-((6-Chloro-1,3,5-triazine-2,4-diyl)diimino)bisethanol2,2'-((6-Chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl))diethanolWV9J47ZQN62-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]diethanol2,2'-((6-CHLORO-1,3,5-TRIAZINE-2,4-DIYL)DIIMINO)DIETHANOL2-((4-CHLORO-6-(2-HYDROXYETHYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)ETHANOLEINECS 259-244-3UNII-WV9J47ZQN6SCHEMBL9754777DTXSID20203011
Show more names
2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bisethanol2,2'-[(6-Chloro-1,3,5-triazine-2,4-diyl)bisimino]bisethanolEthanol, 2,2'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis- (9CI)
STL312099AKOS022140487NS000331342-Chloro-4,6-bis(2-hydroxyethylamino)-s-triazineSR-01000509749SR-01000509749-12,4-bis-(2-hydroxyethylamino)-6-chloro-1,3,5-triazine2-CHLORO-4,6-BIS((2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZINE
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 201 · 201-202 °C
- Boiling point
- 524 · 524.0±60.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- pka
- 14.26 · 14.26±0.10(Predicted)
- FDA UNII
- 9 J47ZQN6 · WV9J47ZQN6
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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