Ammonium, (3-hydroxypropyl)trimethyl-, inner salt, O-(2,2,2-trichloroethyl)phosphate
Basic information
- CAS
53359-91-4- Standard SMILES
C[N+](C)(C)CCCOP(=O)([O-])OCC(Cl)(Cl)Cl- InChIKey
VFXSEVYWJAGHAE-UHFFFAOYSA-N- Molecular formula
- C8H17Cl3NO4P
- Average molar mass
- 328.6 g/mol
- Monoisotopic mass
- 326.996078
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxypropyl)trimethyl-, inner salt, O-(2,2,2-trichloroethyl)phosphate
- IUPAC
- 2,2,2-trichloroethyl 3-(trimethylazaniumyl)propyl phosphate
Names & synonyms
BRN 3974805Ammonium, (3-hydroxypropyl)trimethyl-, inner salt, O-(2,2,2-trichloroethyl)phosphate53359-91-4DTXSID80201518(3-Hydroxypropyl)trimethylammonium inner salt O-(2,2,2-trichloroethyl)phosphateRefChem:318885DTXCID101240092,2,2-trichloroethyl 3-(trimethylazaniumyl)propyl phosphate
Database identifiers
- CAS
53359-91-4- PubChem CID
- 40743
- DTXSID
DTXSID80201518
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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