Dioxadet

HCID 48858

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Basic information

CAS: 67026-12-4
Standard SMILES: CC1(C)OCC(CO)(Nc2nc(N3CC3)nc(N3CC3)n2)CO1
InChIKey: QKBGEGKCGLXDSG-UHFFFAOYSA-N
Molecular formula: C14H22N6O3
Average molar mass: 322.36 g/mol
Monoisotopic mass: 322.17533859

Names & identifiers

Preferred name: Dioxadet
IUPAC: [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxan-5-yl]methanol
English name: 5-{[4,6-bis(1-aziridinyl)-1,3,5-triazine-2-yl]amino]-2-2-dimehtyl-1,3-dioxane-5-methanol
Molecular weight: 0

Names & synonyms

Dioxadet67026-12-43NE0TV9SZSNSC-275656DTXSID302172452,4-bis(1-aziridinyl)-6-(2,2-dimethyl-5-hydroxymethyl-1,3-dioxan-5-yl)amino-1,3,5-triazineRefChem:134569DTXCID301397362,2-Dimethyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanolNSC275656s-Triazine, 4,6-diaziridinyl-2-(2,2-dimethyl-5-hydroxymethyl-m-dioxan-5-ylamino)-(5-{[4,6-BIS(AZIRIDIN-1-YL)-1,3,5-TRIAZIN-2-YL]AMINO}-2,2-DIMETHYL-1,3-DIOXAN-5-YL)METHANOL

Show more names

Aids128440Aids-1284402,2-Dimethyl-5-(4, 6-diaziridinyl-2-S-triazinylamino)-m-dioxane-5-methanol2, 2-Dimethyl-5-(4, 6-diaziridinyl-2-S-triazinylamino)-m-dioxane-5-methanolm-Dioxane-5-methanol, 2,2-dimethyl-5-(4, 6-diaziridinyl-2-S-triazinylamino)-m-Dioxane-5-methanol, 2, 2-dimethyl-5-(4,6-diaziridinyl-2-S-triazinylamino)-5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxane-5-methanol5-{[4,6-bis(1-aziridinyl)-1,3,5-triazine-2-yl]amino]-2-2-dimehtyl-1,3-dioxane-5-methanol(5-((4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2,2-dimethyl-1,3-dioxan-5-yl)methanol1, 3-Dioxane-5-methanol, {5-[[4,6-bis(1-aziridinyl)-1,3,} 5-triazin-2-yl\]amino\]-2,2-dimethyl-

[5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxan-5-yl]methanolNSC 275656BRN 05774615-[[4,6-Bis(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxane-5-methanol1,3-DIOXANE-5-METHANOL, 5-((4,6-BIS(1-AZIRIDINYL)-1,3,5-TRIAZIN-2-YL)AMINO)-2,2-DIMETHYL-1,3-Dioxane-5-methanol, 5-{[4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl]amino}-2,2-dimethyl-5-((4,6-BIS(1-AZIRIDINYL)-1,3,5-TRIAZIN-2-YL)AMINO)-2,2-DIMETHYL-1,3-DIOXANE-5-METHANOLUNII-3NE0TV9SZS

Database identifiers

CAS: 67026-12-4
PubChem CID: 48858
DTXSID: DTXSID30217245
ChEMBL: CHEMBL2003457
UNII: 3NE0TV9SZS
Nikkaji: J73.763A

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 95.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 412

Experimental & physicochemical properties

LogP-0.52

Physicochemical properties

FDA UNII: 3 NE0TV9SZS · 3NE0TV9SZS

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Compound notes

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