N6,N6-diethyl-4,8-di(tert-butyl)-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-amine
Basic information
- CAS
114906-38-6- Standard SMILES
CCN(CC)P1Oc2c(cc(C)cc2C(C)(C)C)Cc2cc(C)cc(C(C)(C)C)c2O1- InChIKey
NRGOJRVWTVSCJH-UHFFFAOYSA-N- Molecular formula
- C27H40NO2P
- Average molar mass
- 441.6 g/mol
- Monoisotopic mass
- 441.27966652
Names & identifiers
- Preferred name
- N6,N6-diethyl-4,8-di(tert-butyl)-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-amine
- IUPAC
- 1,9-ditert-butyl-N,N-diethyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine
Names & synonyms
N6,N6-diethyl-4,8-di(tert-butyl)-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-amine114906-38-61,9-ditert-butyl-N,N-diethyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amineDTXSID40348190NRGOJRVWTVSCJH-UHFFFAOYSA-NMFCD00203971AKOS024367572DB-026825ST51001519[4,8-bis(tert-butyl)-2,10-dimethyl(12H-dibenzo[d,g]1,3,2-dioxaphosphocin-6-yl) ]diethylamine4,8-Di-tert-butyl-N,N-diethyl-2,10-dimethyl-6H,12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-amine4,8-Ditert-butyl-N,N-diethyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-amine
Database identifiers
- CAS
114906-38-6- PubChem CID
- 631871
- DTXSID
DTXSID40348190
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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