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Methyl fluorophosphoryl beta-methylcholine iodide

HCID 19748
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Basic information

CAS
3873-20-9
Standard SMILES
CC(C[N+](C)(C)C)OP(C)(=O)F.[I-]
InChIKey
LYPOKWZHLFSWJC-UHFFFAOYSA-M
Molecular formula
C7H18FINO2P
Average molar mass
325.1 g/mol
Monoisotopic mass
325.01039

Names & identifiers

Preferred name
Methyl fluorophosphoryl beta-methylcholine iodide
IUPAC
2-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide

Names & synonyms

Methyl fluorophosphoryl beta-methylcholine iodide3873-20-92-Trimethylammonium-1-methylethyl methylphosphonofluoridate iodideAmmonium, (2-hydroxypropyl)trimethyl-, iodide, methylphosphonofluoridate, (ester)RefChem:356652DTXSID809595422-{[Fluoro(methyl)phosphoryl]oxy}-N,N,N-trimethylpropan-1-aminium iodide

Database identifiers

CAS
3873-20-9
PubChem CID
19748
DTXSID
DTXSID80959542

Properties

Computed structural properties

Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
190

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