(4-Pyrrolidin-1-ylnaphthalen-1-yl)phosphonic acid diethyl ester
Basic information
- CAS
870888-98-5- Standard SMILES
CCOP(=O)(OCC)c1ccc(N2CCCC2)c2ccccc12- InChIKey
CQAWPSIHPSXSEZ-UHFFFAOYSA-N- Molecular formula
- C18H24NO3P
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.14938063
Names & identifiers
- Preferred name
- (4-Pyrrolidin-1-ylnaphthalen-1-yl)phosphonic acid diethyl ester
- IUPAC
- 1-(4-diethoxyphosphorylnaphthalen-1-yl)pyrrolidine
Names & synonyms
(4-Pyrrolidin-1-ylnaphthalen-1-yl)phosphonic acid diethyl ester870888-98-5SCHEMBL4876314DTXSID80469535CQAWPSIHPSXSEZ-UHFFFAOYSA-NDiethyl [4-(pyrrolidin-1-yl)naphthalen-1-yl]phosphonate[4-(Pyrrolidin-1-yl)naphthalen-1-yl]phosphonic acid diethyl ester
Database identifiers
- CAS
870888-98-5- PubChem CID
- 11616946
- DTXSID
DTXSID80469535
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
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Related reactions
2 records
Compound notes
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