Stk047125
Basic information
- CAS
15911-93-0- Standard SMILES
C#CCOc1nc(OCC#C)nc(OCC#C)n1- InChIKey
DRFJNVUYUQQIDX-UHFFFAOYSA-N- Molecular formula
- C12H9N3O3
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.06439116
Names & identifiers
- Preferred name
- Stk047125
- IUPAC
- 2,4,6-tris(prop-2-ynoxy)-1,3,5-triazine
- English name
- 2,4,6-Tris(prop-2-yn-1-yloxy)-1,3,5-triazine
- Molecular formula
- C12H9N3O3
- Molecular weight
- 243.22
Names & synonyms
15911-93-0STK047125DTXSID90385176RefChem:382077DTXCID003361992,4,6-tris(prop-2-yn-1-yloxy)-1,3,5-triazine2,4,6-tris(prop-2-ynoxy)-1,3,5-triazineMFCD004418282,4,6-Tri(propargyloxy)-1,3,5-triazineZINC48318652,4,6-Tris[(prop-2-yn-1-yl)oxy]-1,3,5-triazinepropargyl cyanurate
Show more names
1,3,5-Triazine, 2,4,6-tris(2-propyn-1-yloxy)-
CBMicro_004970Cambridge id 5112000MLS000104707SCHEMBL690812CHEMBL1365489HMS2288D23C#CCOc1nc(OCC#C)nc(n1)OCC#CCCG-2081
Database identifiers
- CAS
15911-93-0- PubChem CID
- 2827992
- DTXSID
DTXSID90385176- ChEMBL
CHEMBL1365489- Nikkaji
- J1.963.882K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 79.5 · 79.5-80.5 °C
- Boiling point
- 378.8 · 378.8±52.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- -0.08 · -0.08±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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