HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetylcholine Iodide
ACH · CEK2 · JTK4 · CD333 · HSFGFR3EX · acetylcolina · CD333 antigen · acetyl-choliniodide
Identifiers & Physical Properties
| CAS No. | 2260-50-6 |
|---|---|
| Molecular formula | C7H16INO2 |
| Average molar mass | 273.11 g/mol |
| Monoisotopic mass | 273.02257675 g/mol |
| SMILES | CC(=O)OCC[N+](C)(C)C.[I-] |
| InChIKey | SMBBQHHYSLHDHF-UHFFFAOYSA-M |
| PubChem CID | 75271 |
| ChEMBL | CHEMBL60457 |
| EC No. | 218-862-3 |
| DTXSID | DTXSID10883821 |
Chemical & Physical Properties
| Topological polar surface area | 26.3 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 115 |
| Melting point | 161-164 °C |
| Density | 1.4816 (estimate) |
| Storage conditions | -20°C |
| Solubility | Soluble in DMSOalmost transparency |
| Physical state | Crystalline Powder |
| Color | White |
| Biological source | rabbit |
| Sensitivity | Light Sensitive & Hygroscopic |
| BRN | 3571339 |
| Specific Activity | 95-129nmol/min·mg |
| InChI | 1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H31H/q+1/p-1 |
| InChIKey | SMBBQHHYSLHDHF-UHFFFAOYSA-M |
| SMILES | [I-].CC(=O)OCC[N+](C)(C)C |
| CAS DataBase Reference | 2260-50-6(CAS DataBase Reference) |
| FDA UNII | 7ZCP12S7HQ |
| EPA Substance Registry System | Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide (2260-50-6) |
| UNSPSC Code | 51111800 |
| NACRES | NA.41 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | KH3300000 |
| F | 8-9 |
| TSCA inventory status | TSCA listed |
| Customs code | 29239000 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH302 (81.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Other safety information | IMAP assessments - Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (81.6%) |
| F | 8-9 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | KH3300000 |
| Customs code | 29239000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Acetylcholine is an endogenous neurotransmitter at cholinergic synapses that amplifies action potential of the sarcolemma thereby inducing muscle contractions. Acetylcholine iodide is used as an acetylcholine receptor agonist to identify, characterize and differentiate among types of cholinergic receptors. Acetylcholine iodide is used as a substrate to identify and characterize natural and mutated acetylcholinesterase(s).