Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate (1:1)
Basic information
- CAS
927-86-6- Standard SMILES
CC(=O)OCC[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
SHIQLFRCVFUYEK-UHFFFAOYSA-M- Molecular formula
- C7H16ClNO6
- Average molar mass
- 245.66 g/mol
- Monoisotopic mass
- 245.0666149
Names & identifiers
- Preferred name
- Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate (1:1)
- IUPAC
- 2-acetyloxyethyl(trimethyl)azanium perchlorate
- English name
- ACETYLCHOLINE PERCHLORATE
- Molecular formula
- C7H16ClNO6
- Molecular weight
- 245.66
Names & synonyms
Acetylcholine perchlorate927-86-6Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchloratePerchlorate, Acetylcholine2-acetoxyethyl(trimethyl)ammonium;perchlorateDTXSID5061299Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate (1:1)RefChem:109127DTXCID8048814213-166-6(2-Acetoxyethyl)trimethylammonium perchlorate2-acetyloxyethyl(trimethyl)azanium;perchlorate
Show more names
Ai3-51678AcetylCholineChlorideGrAcethylcholine PerchlorateO-ACETYLCHOLINE PERCHLORATEAcetylcholine Perchlorate >acetylcholine perchlorate crystalline2-acetyloxyethyl(trimethyl)ammonium perchlorate
2-acetoxy-n,n,n-trimethylethanaminiumperchloratCholine acetate (ester), perchlorateC7H16ClNO62-acetoxyethyl(trimethyl)ammonium[2-(acetyloxy)ethyl]trimethylazanium perchlorateSMR000875271EINECS 213-166-6WK7ZQG9MCZ
Database identifiers
- CAS
927-86-6- PubChem CID
- 93565
- DTXSID
DTXSID5061299- ChEMBL
CHEMBL1736587- UNII
- WK7ZQG9MCZ
- EC Number
- 213-166-6
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Solubility>36.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- storage temp.
- 20 °C · −20°C
- Water Solubility
- almost transparency
- CAS DataBase Reference
- 927 · 927-86-6(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate (927-86-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationAcetylcholine perchlorate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1479
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 5.1
- packing_group
- III
- Hazard statements
- H315-H319-H335
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to cause dilation of the blood vessels.
Drugs that bind to and activate cholinergic receptors.
Uses & manufacturing
General Manufacturing InformationEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate (1:1): INACTIVE
Applications
UsesAcetylcholine perchlorate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers
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Related reactions
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Compound notes
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