Basic information
- CAS
67026-17-9- Standard SMILES
CC(C)C1OCC(CO)(Nc2nc(N3CC3)nc(N3CC3)n2)CO1- InChIKey
BVRMBCUZDYUFBT-UHFFFAOYSA-N- Molecular formula
- C15H24N6O3
- Average molar mass
- 336.39 g/mol
- Monoisotopic mass
- 336.19098865
Names & identifiers
- Preferred name
- (5-((4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl)amino)-2-(propan-2-yl)-1,3-dioxan-5-yl)methanol
- IUPAC
- [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-propan-2-yl-1,3-dioxan-5-yl]methanol
- English name
- 5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2-isopropyl-1,3-dioxane-5-methanol
- Molecular formula
- C15H24N6O3
- Molecular weight
- 336.39
Names & synonyms
67026-17-9DTXSID20985880(5-((4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl)amino)-2-(propan-2-yl)-1,3-dioxan-5-yl)methanol[5-{[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino}-2-(propan-2-yl)-1,3-dioxan-5-yl]methanolRefChem:1050547DTXCID6014130701,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-(1-methylethyl)-72239-54-45-(4,6-Diaziridinyl-2-s-triazinylamino)-2-(2-propyl)-m-dioxane-5-methanols-Triazine, 4,6-diaziridinyl-2-(2-propyl-5-hydroxymethyl-m-dioxan-5-ylamino)-m-DIOXANE-5-METHANOL, 2-(2-PROPYL)-5-(4,6-DIAZIRIDINYL-2-s-TRIAZINYLAMINO)-67026-21-5
Show more names
5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2-isopropyl-1,3-dioxane-5-methanol
m-Dioxane-5-axial-methanol, 5-equatorial-((4,6-bis(1-aziridinyl)-s-triazinyl)amino)-2-equatorial-isopropyl-m-Dioxane-5-equatorial-methanol, 5-axial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-isopropyl-
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
LogP0.22
Physicochemical properties
- Boiling point
- 551.8 · 551.8±60.0 °C(Predicted)
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- pka
- 14.58 · 14.58±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…