Basic information
- CAS
2382-43-6- Standard SMILES
CC(O)C[N+](C)(C)C.[Cl-]- InChIKey
RUUHDEGJEGHQKL-UHFFFAOYSA-M- Molecular formula
- C6H16ClNO
- Average molar mass
- 153.65 g/mol
- Monoisotopic mass
- 153.0920418
Names & identifiers
- Preferred name
- (2-Hydroxypropyl)trimethylammonium chloride
- IUPAC
- 2-hydroxypropyl(trimethyl)azanium chloride
- English name
- β-Methylcholine Chloride
- Molecular formula
- C6H16ClNO
- Molecular weight
- 153.65
Names & synonyms
2382-43-6beta-Methylcholine chloride1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride(2-Hydroxypropyl)trimethylammonium chlorideK72A0BR9CQAMMONIUM, (2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDE1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1)DTXSID00883835RefChem:119454DTXCID601023320219-183-52-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
Show more names
β-Methylcholine Chloride--Methylcholin chloridSS-METHYLCHOLINE CHLORIDEβ-MethylcholineChloride>2-Hydroxypropytrimethylammonium chloride(2-Hydroxypropyl)trimethylaminium·chloride(2-hydroxypropyl)trimethyl-ammoniuchloride
2-hydroxypropyl(trimethyl)azanium;chlorideb-Methylcholine ChlorideMFCD016694082-Hydroxypropyltrimethylammonium Chloride(2-hydroxypropyl)trimethylazanium chloride2-Hydroxy-N,N,N-trimethyl-1-propanaminium chlorideEINECS 219-183-5beta-Hydroxypropyltrimethylammonium Chloride; (2-Hydroxypropyl)trimethylammonium Chloride; 2-Hydroxy-N,N,N-trimethyl-1-propanaminium Chloride;
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65.4
Physicochemical properties
- Melting point
- 165 °C · 165°C
- Density
- 1.0183 · 1.0183 (rough estimate)
- refractive index
- 1.5618 · 1.5618 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- almost transparency
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C6H16NO.ClH/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
- InChIKey
- RUUHDEGJEGHQKL-UHFFFAOYSA-M
- SMILES
- [N+](C)(C)(C)CC(O)C.[Cl-]
- FDA UNII
- 72 A0BR9CQ · K72A0BR9CQ
- EPA Substance Registry System
- 1 · 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (2382-43-6)
- UNSPSC Code
- 41116107 · 41116107
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
This chemical does not meet GHS hazard criteria for 100% (40 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: (2-hydroxypropyl)trimethylammonium chloride (EC: 219-183-5)
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- BR5220000
- hs_code
- 2923.90.0100
- Toxicity
- mouse,LDLo,subcutaneous,630mg/kg (630mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 1, Pg. 303, 1909.
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Applications
Usesβ-Methylcholine Chloride is a chitosan quaternized derivative that is used to prepare and study its applicability in anion exchange membrane fuel cells.
Upstream & downstream products
Upstream raw materials
Suppliers63 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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