Basic information
- CAS
2964-09-2- Standard SMILES
C[N+](C)(C)CCOC(=O)c1ccccc1.[Cl-]- InChIKey
QVFHQENRNSAHEK-UHFFFAOYSA-M- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- Benzoylcholine chloride
- IUPAC
- 2-benzoyloxyethyl(trimethyl)azanium chloride
- English name
- Benzoylcholine chloride
- Molecular formula
- C12H18ClNO2
- Molecular weight
- 243.73
Names & synonyms
Benzoylcholine chlorideEthanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, chloride (1:1)2-Benzoyloxyethyltrimethylammonium chlorideRefChem:5664762Benzoyloxyethyltrimethylammonium chloride2(Benzoyloxy)N,N,Ntrimethylethanaminium chloride(2Hydroxyethyl)trimethylammonium chloride benzoateEthanaminium, 2(benzoyloxy)N,N,Ntrimethyl, chlorideAmmonium, (2hydroxyethyl)trimethyl, chloride, benzoateEthanaminium, 2(benzoyloxy)N,N,Ntrimethyl, chloride (9CI)221-000-92964-09-2
Show more names
N-BENZOYLCHOLINE CHLORIDEcholine,chloride,benzoateBenzoylcholine Chloride >2-benzoyloxyethyltrimethylammonium chloride2-Benzoyloxyethyl(trimethyl)azanium Chloride2-(benzyloxy)-n,n,n-trimethylethanaminiumchloride(2-hydroxyethyl)trimethylammoniumchloridebenzoateammonium,(2-hydroxyethyl)trimethyl-,chloride,benzoate
[2-(benzoyloxy)ethyl]trimethylazanium chlorideCholine, chloride, benzoate2-(benzoyloxy)-n,n,n-trimethylethanaminium chlorideMFCD000117862-benzoyloxyethyl(trimethyl)azanium;chlorideEINECS 221-000-92-(Benzyloxy)-N,N,N-trimethylethanaminimum chlorideAKOS015833142
Database identifiers
- CAS
2964-09-2- PubChem CID
- 76298
- DTXSID
DTXSID70952108- EC Number
- 221-000-9
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite hygroscopic crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 204 · 204-208 °C
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- almost transparency
- Sensitive
- Hygroscopic
- BRN
- 3919727 · 3919727
- CAS DataBase Reference
- 2964 · 2964-09-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryCauses somnolence, convulsions, and respiratory depression in intraperitoneal lethal-dose studies of mice; LD50 = 49 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
- F
- 3
- wgk
- 3
- rtecs
- GA0830000
- hs_code
- 2923.10.0000
- Toxicity
- mouse,LD50,intraperitoneal,49mg/kg (49mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Farmakologiya i Toksikologiya Vol. 20(4), Pg. 32, 1957.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesBenzoylcholine Chloride is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers36 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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