2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride

Basic Information

View in Editor

CAS Number

590-63-6

Molecular Formula

C7H17ClN2O2

Molecular Weight

196.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

214.0 to 218.0 deg-C

Boiling Point

°Cat760mmHg

Solubility

H2O: 1.7 g/mL stable for several days at 4°C.

SMILES

View in Editor

CC(C[N+](C)(C)C)OC(=O)N.[Cl-]

InChI

InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H

InChIKey

XXRMYXBSBOVVBH-UHFFFAOYSA-N

LogP

-2.11930

Complexity

140

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Tox21_112028_1
C08202
BETHANECHOL CHLORIDE (USP-RS)
NCGC00163217-01
LP00304
EINECS 209-686-8
Mechothane
2-carbamoyloxypropyl(trimethyl)azanium;chloride
1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1)
B4828
CHEBI:3085
NSC-30783
NSC-755913
A832139
beta-Methylcholine chloride urethan
NSC 30783
HMS2091M19
HMS3260N10
HMS3259L15
CAS-590-63-6
MLS000028675
Carbamyl-beta-methylcholine chloride.cd
Myotonine chloride
BETHANECHOL CHLORIDE [ORANGE BOOK]
DTXCID902676
BETHANECHOL CHLORIDE (USP MONOGRAPH)
HMS1571G08
1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride
MFCD00055224
2-((Aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride
( inverted exclamation markA)-Bethanechol

MDL Number

MFCD00055224

Customs Code

2924199090

FAQ

What is 2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride (CAS: 590-63-6)?

2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride (CAS: 590-63-6) is a quaternary ammonium compound with the chemical formula C6H15ClNO2. It is a water-soluble ionic substance commonly used as a surfactant or emulsifier. Its molecular structure features a trimethylamino group attached to a propane backbone with a carbamoyloxy functional group and a chloride counterion, making it effective in stabilizing formulations and reducing surface tension.

What are the main uses of 2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride (CAS: 590-63-6)?

This compound is widely used in pharmaceuticals as a formulation aid, in industrial applications for cleaning and emulsification, and in research as a chemical intermediate. It also serves as a surfactant in food processing and personal care products, helping to improve texture and dispersion. Its versatility makes it valuable across multiple sectors, including cosmetics and agriculture, due to its ability to interact with biological systems and stabilize mixtures.

Is 2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride (CAS: 590-63-6) safe?

2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride (CAS: 590-63-6) is generally considered safe when handled properly. It may cause mild skin or eye irritation, so protective measures like gloves and safety goggles are recommended. Safety standards emphasize avoiding inhalation of vapors and ensuring proper ventilation. It is non-flammable but should be kept away from heat sources to prevent accidental reactions.

How should 2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride (CAS: 590-63-6) be stored?

Store 2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride (CAS: 590-63-6) in a cool, dry place, away from direct light. Keep it in a sealed container to prevent moisture absorption and maintain stability. Avoid exposure to high temperatures or humidity, as these can affect its solubility and efficacy. Ensure storage in a well-ventilated area to comply with safety regulations for chemical handling.