Ethylsarin
Basic information
- CAS
1189-87-3- Standard SMILES
CCP(=O)(F)OC(C)C- InChIKey
KXKAXOZWSFAJTG-UHFFFAOYSA-N- Molecular formula
- C5H12FO2P
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.05589478
Overview
urinary sarin metabolite
Names & identifiers
- Preferred name
- Ethylsarin
- IUPAC
- 2-[ethyl(fluoro)phosphoryl]oxypropane
- English name
- Isopropylethylphosphonofluoridate
- Molecular weight
- 0
Names & synonyms
EthylsarinY38A9Z75SVDTXSID60862585EA-1209RefChem:139202DTXCID10811326Isopropoxy-ethyl-phosphoryl fluoride1189-87-3Ethylphosphonofluoridic acid isopropyl esterIsopropyl ethylphosphonofluoridatePhosphonofluoridic acid, ethyl-, isopropyl esterIsopropoxy-ethylphosphonofluoridate
Show more names
2-[ethyl(fluoro)phosphoryl]oxypropaneBRN 1754192propan-2-yl ethylphosphonofluoridateUNII-Y38A9Z75SV4-04-00-03528 (Beilstein Handbook Reference)Phosphonofluoridic acid, ethyl-, 1-methylethyl esterisopropylethylphosphonofluoridateSCHEMBL5491322
Database identifiers
- CAS
1189-87-3- PubChem CID
- 65566
- DTXSID
DTXSID60862585- UNII
- Y38A9Z75SV
- Nikkaji
- J40.750J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Chemical Weapons
Physicochemical properties
- FDA UNII
- 38 A9Z75SV · Y38A9Z75SV
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Tabun (GA), Sarin (GB), and Soman (GD);
Toxicology
Adverse EffectsOther Poison - Organophosphate
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…