Dipropan-2-yl pyridin-4-ylphosphonate

HCID 323978

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Basic information

CAS: 58815-96-6
Standard SMILES: CC(C)OP(=O)(OC(C)C)c1ccncc1
InChIKey: FKMZXWZCEXHILQ-UHFFFAOYSA-N
Molecular formula: C11H18NO3P
Average molar mass: 243.24 g/mol
Monoisotopic mass: 243.10243043

Names & identifiers

Preferred name: Dipropan-2-yl pyridin-4-ylphosphonate
IUPAC: 4-di(propan-2-yloxy)phosphorylpyridine

Names & synonyms

58815-96-6NSC287471Dipropan-2-yl pyridin-4-ylphosphonateSCHEMBL11458133DTXSID20314696NSC-287471Di(propan-2-yl) pyridin-4-ylphosphonatePyridin-4-yl-phosphonic acid diisopropyl ester

Database identifiers

CAS: 58815-96-6
PubChem CID: 323978
DTXSID: DTXSID20314696
Nikkaji: J2.645.702E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 48.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 236

Experimental & physicochemical properties

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Related reactions

1 records

New reaction record

HRID 1496613As productNiCOlit

Compound notes

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