(5-((4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl)amino)-2-phenyl-1,3-dioxan-5-yl)methanol
Basic information
- CAS
72239-51-1- Standard SMILES
OCC1(Nc2nc(N3CC3)nc(N3CC3)n2)COC(c2ccccc2)OC1- InChIKey
VPZWBHONOYDQMO-UHFFFAOYSA-N- Molecular formula
- C18H22N6O3
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.17533859
Names & identifiers
- Preferred name
- (5-((4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl)amino)-2-phenyl-1,3-dioxan-5-yl)methanol
- IUPAC
- [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-dioxan-5-yl]methanol
- English name
- 5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-dioxane-5-methanol
- Molecular weight
- 0
Names & synonyms
DTXSID20992973(5-{[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino}-2-phenyl-1,3-dioxan-5-yl)methanol(5-((4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl)amino)-2-phenyl-1,3-dioxan-5-yl)methanolRefChem:1050548DTXCID50142003672239-51-1m-DIOXANE-5-METHANOL, 2-PHENYL-5-(4,6-DIAZIRIDINYL-2-s-TRIAZINYLAMINO)-1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-phenyl-5-(4,6-Diaziridinyl-2-s-triaziridinylamino)-2-phenyl-m-dioxane-5-methanols-Triazine, 4,6-diaziridinyl-2-(2-phenyl-5-hydroxymethyl-m-dioxan-5-ylamino)-73322-82-4m-Dioxane-5-axial-methanol, 5-equatorial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-phenyl-
Show more names
5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-dioxane-5-methanol
Database identifiers
- CAS
72239-51-1、73322-82-4- PubChem CID
- 51562
- DTXSID
DTXSID20992973- Nikkaji
- J73.765H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
LogP0.62
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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