5-Ethyl-2-hydroxy-5-nitro-1,3,2lambda5-dioxaphosphinane 2-oxide;4-(3-piperidin-4-ylpropyl)piperidine
Basic information
- CAS
20133-70-4- Standard SMILES
C(CC1CCNCC1)CC1CCNCC1.CCC1([N+](=O)[O-])COP(=O)(O)OC1- InChIKey
VSTBOTFWJCBEER-UHFFFAOYSA-N- Molecular formula
- C18H36N3O6P
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.23417287
Names & identifiers
- Preferred name
- 5-Ethyl-2-hydroxy-5-nitro-1,3,2lambda5-dioxaphosphinane 2-oxide;4-(3-piperidin-4-ylpropyl)piperidine
- IUPAC
- 5-ethyl-2-hydroxy-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide;4-(3-piperidin-4-ylpropyl)piperidine
Names & synonyms
20133-70-4DTXSID00712616NSC108636NSC-1086365-Ethyl-2-hydroxy-5-nitro-1,3,2lambda~5~-dioxaphosphinan-2-one--4,4'-(propane-1,3-diyl)dipiperidine (1/1)
Database identifiers
- CAS
20133-70-4- PubChem CID
- 54599015
- DTXSID
DTXSID00712616
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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