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O-(2-Iodoethyl)choline

HCID 53141
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
76584-53-7
Standard SMILES
C[N+](C)(C)CCOCCI
InChIKey
DHXANSVTUWPTCK-UHFFFAOYSA-N
Molecular formula
C7H17INO+
Average molar mass
258.12 g/mol
Monoisotopic mass
258.03549

Overview

affect muscarinic & nicotinic receptors

Names & identifiers

Preferred name
O-(2-Iodoethyl)choline
IUPAC
2-(2-iodoethoxy)ethyl-trimethylazanium
English name
O-(2-iodoethyl)choline
Molecular weight
0

Names & synonyms

O-(2-Iodoethyl)choline76584-53-7(2-Iodoethyl)choline etherDTXSID50227386Ethanaminium, 2-(2-iodoethoxy)-N,N,N-trimethyl-RefChem:167081DTXCID50149877SCHEMBL36866182-(2-Iodoethoxy)-N,N,N-trimethylethan-1-aminium

Database identifiers

CAS
76584-53-7
PubChem CID
53141
DTXSID
DTXSID50227386

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
10
Formal charge
1
Complexity
80.2

Related reactions

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Compound notes

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