Basic information
- CAS
13171-21-6- Standard SMILES
CCN(CC)C(=O)/C(Cl)=C(\C)OP(=O)(OC)OC- InChIKey
RGCLLPNLLBQHPF-HJWRWDBZSA-N- Molecular formula
- C10H19ClNO5P
- Average molar mass
- 299.69 g/mol
- Monoisotopic mass
- 299.0689374
Overview
Phosphamidon is an organochlorine insecticide, an organophosphate insecticide, a trialkyl phosphate and an organophosphate nematicide. It has a role as an acaricide, an agrochemical, an EC 3.1.1.8 (cholinesterase) inhibitor and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a N,N-diethyl-3-hydroxybut-2-enamide.
Names & identifiers
- Preferred name
- cis-Phosphamidon
- IUPAC
- [(Z)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
- English name
- (Z)-2-chloro-3-dimethoxyphosphoryloxy-N,N-diethyl-but-2-enamide
- Molecular formula
- C10H19ClNO5P
- Molecular weight
- 299.69
Names & synonyms
cis-Phosphamidon23783-98-4HQ7958Q90ZRefChem:1081976(Z)-PhosphamidonNCGC00166317-01[(Z)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate(O,O-Dimethyl-O-(1-methyl-2-chloro-2-diethylcarbamoyl-vinyl) phosphate)O,O-Dimethyl-O-(1-methyl-2-chlor-2-N,N-diaethyl-carbamoyl)-vinyl-phosphatZ-PhosphamidonFosfamidon [Dutch]CAS-13171-21-6
Show more names
(Z)-2-chloro-3-dimethoxyphosphoryloxy-N,N-diethyl-but-2-enamidePhosphoric acid, (1Z)-2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propen-1-yl dimethyl ester
Caswell No. 661Fosfamidone [Italian]Foszfamidon (Hungarian)CCRIS 516UNII-7H857A6N6HUNII-HQ7958Q90ZPhosphamidon [ANSI:BSI:ISO]HSDB 1754
Database identifiers
- CAS
13171-21-6、23783-98-4- PubChem CID
- 3032604
- DTXSID
DTXSID601030915- ChEMBL
CHEMBL1892391- ChEBI
CHEBI:38832- UNII
- HQ7958Q90Z
- Nikkaji
- J3.767B、J437.688I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Collision Cross Section
162.25 Ų [M+Na]+
156.16 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
Physicochemical properties
- Boiling point
- 356 · 356.0±42.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- -1.28 · -1.28±0.70(Predicted)
- FDA UNII
- 7958 Q90Z · HQ7958Q90Z
Chemistry & industry
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: Phosphamidon is a trialkyl phosphate, an organophosphate insecticide, an organochlorine insecticide and an organophosphate nematicide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide and an agrochemical. It is functionally related to a N,N-diethyl-3-hydroxybut-2-enamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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