3,5,5-Trimethyl-2-morpholinon-3-yl radical dimer
Basic information
- CAS
85337-18-4- Standard SMILES
CC1(C)COC(=O)C(C)(C2(C)NC(C)(C)COC2=O)N1- InChIKey
SXTIZAYCEOYVKM-UHFFFAOYSA-N- Molecular formula
- C14H24N2O4
- Average molar mass
- 284.35 g/mol
- Monoisotopic mass
- 284.17360725
Overview
reacts with adriamycin to produce non-toxic 7-deoxyadriamycinone for adriamycin toxicity prevention; structure given in first source
Names & identifiers
- Preferred name
- 3,5,5-Trimethyl-2-morpholinon-3-yl radical dimer
- IUPAC
- 3,5,5-trimethyl-3-(3,5,5-trimethyl-2-oxomorpholin-3-yl)morpholin-2-one
- English name
- 3,5,5-trimethyl-2-morpholinon-3-yl radical dimer
- Molecular formula
- C14H24N2O4
- Molecular weight
- 284.35
Names & synonyms
TM 3 Radical dimerTM-3 Dimer85337-18-4(3,3'-Bimorpholine)-2,2'-dione, 3,3',5,5,5',5'-hexamethyl-3,5,5-Trimethyl-2-morpholinon-3-yl radical dimerRefChem:91306NSC 318226SCHEMBL10834857DTXSID101005812NSC318226NSC-3182263,3',5,5,5',5'-hexamethyl-3,3'-bimorpholine-2,2'-dione
Show more names
[3,3'-Bimorpholine]-2,2'-dione, 3,3',5,5,5',5'-hexamethyl-
3,3',5,5,5',5'-Hexamethyl[3,3'-bimorpholine]-2,2'-dione
Database identifiers
- CAS
85337-18-4- PubChem CID
- 100550
- DTXSID
DTXSID101005812- Nikkaji
- J3.762.061K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 448.6 · 448.6±45.0 °C(Predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 6.69 · 6.69±0.60(Predicted)
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Compound notes
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