Diethyl[3-(acetylamino)propyl]phosphonate

HCID 254237

Notes Reactions

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Basic information

CAS: 54008-28-5
Standard SMILES: CCOP(=O)(CCCNC(C)=O)OCC
InChIKey: WPZMDVSNIXDARR-UHFFFAOYSA-N
Molecular formula: C9H20NO4P
Average molar mass: 237.23 g/mol
Monoisotopic mass: 237.11299475

Names & identifiers

Preferred name: Diethyl[3-(acetylamino)propyl]phosphonate
IUPAC: N-(3-diethoxyphosphorylpropyl)acetamide

Names & synonyms

54008-28-5diethyl[3-(acetylamino)propyl]phosphonateNSC78303NCIOpen2_004367SCHEMBL11699849DTXSID10291806WPZMDVSNIXDARR-UHFFFAOYSA-NNSC-78303Diethyl (3-acetamidopropyl)phosphonateN-acetyl-3-aminopropanephosphonic acid diethyl ester

Database identifiers

CAS: 54008-28-5
PubChem CID: 254237
DTXSID: DTXSID10291806

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 222

Related reactions

3 records

New reaction record

HRID 204502As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 437048As productuspto-grants-1977_06

HRID 2071856As productuspto-grants-1977_09

Compound notes

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