Basic information
- Standard SMILES
CC(=O)OCC[N+](C)(C)C.[I-]- InChIKey
SMBBQHHYSLHDHF-UHFFFAOYSA-M- Molecular formula
- C7H16INO2
- Average molar mass
- 273.11 g/mol
- Monoisotopic mass
- 273.02257675
Overview
See also: Acetylcholine (has active moiety).
Names & identifiers
- Preferred name
- Acetylcholine Iodide
- IUPAC
- 2-acetyloxyethyl(trimethyl)azanium iodide
- English name
- ACETYLCHOLINE IODIDE
- Molecular formula
- C7H16INO2
- Molecular weight
- 273.11
Names & synonyms
Acetylcholine iodide2260-50-6Choline acetate (ester), iodideEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide7ZCP12S7HQIodide, AcetylcholineEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)DTXSID10883821RefChem:109124DTXCID301023307218-862-32-acetoxy-n,n,n-trimethylethanaminium iodide
Show more names
ACHCEK2JTK4CD333HSFGFR3EXCD333 antigenacetyl-choliniodideAcetylholine iodide
AcetylcolinaAcetylcholine (iodide)ACh iodideAcetycholine iodideMFCD000118152-Acetyloxyethyl(trimethyl)azanium;iodideACh (iodide)2-Acetoxy-N,N,N-trimethylethan-1-aminium iodide
Database identifiers
- CAS
2260-50-6- PubChem CID
- 75271
- DTXSID
DTXSID10883821- ChEMBL
CHEMBL60457- UNII
- 7ZCP12S7HQ
- EC Number
- 218-862-3
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Melting point
- 161 · 161-164 °C
- Density
- 1.4816 · 1.4816 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO
- form
- Crystalline Powder
- color
- White
- biological source
- rabbit
- Water Solubility
- almost transparency
- Sensitive
- Light Sensitive & Hygroscopic
- BRN
- 3571339 · 3571339
- Specific Activity
- 95 · 95-129nmol/min·mg
- InChI
- 1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
- InChIKey
- SMBBQHHYSLHDHF-UHFFFAOYSA-M
- SMILES
- [I-].CC(=O)OCC[N+](C)(C)C
- CAS DataBase Reference
- 2260 · 2260-50-6(CAS DataBase Reference)
- FDA UNII
- 7 ZCP12S7HQ · 7ZCP12S7HQ
- EPA Substance Registry System
- 2 · Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide (2260-50-6)
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 41 · NA.41
- 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
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 3300000 · KH3300000
- F
- 8 · 8-9
- TSCA
- TSCA listed
- HS Code
- 29239000 · 29239000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (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.
Hazard information
Other Safety InformationIMAP assessments - Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (81.6%)
Safety data
- F
- 8-9
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KH3300000
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
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-, iodide (1:1): INACTIVE
Applications
UsesAcetylcholine 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).
Upstream & downstream products
Upstream raw materials
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海润裕生物科技有限公司15221425291 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海心语生物科技有限公司13301728348 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
Related reactions
1 records
Linked notes
Loading…