3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate

Basic Information

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CAS Number

51-60-5

Molecular Formula

C13H22N2O6S

Molecular Weight

334.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

175-177?°C

Boiling Point

457°C

Density

1.0000

Water Solubility

1g/10mL

Flash Point

No data available

Solubility

H2O: 1 g/mL

Vapor Pressure

No data available

SMILES

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CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

OSZNNLWOYWAHSS-UHFFFAOYSA-M

LogP

2.11750

Complexity

337

Safety Information

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GHS Hazard Pictograms

H300

H315

H319

H334

H335

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in mice (mg/kg): 0.16 i.v.; 0.42 s.c.; 7.5 orally, (Randall, Lehmann)

Synonyms & References

English

Neostigmine methosulfate
CHEMBL211471
C75419
AS-15291
MLS001148660
Neostigmine methyl sulfate, European Pharmacopoeia (EP) Reference Standard
Prostigmine methyl sulfate
WLN: 1N1&VOR CK1&1&1 &Q &OSW1
Neostigmeth
Ammonium, (3-(dimethylcarbamoyloxy)phenyl)trimethyl-, methylsulfate
Neostigminemethylsulfate
Synstigmine
Syntostigmine methyl sulfate
Ammonium, (m-hydroxyphenyl)trimethyl-, methyl sulfate, dimethylcarbamate
EN300-6731072
MLS000028383
DTXSID40199003
HMS2234E04
(3-Dimethylcarbamoyloxyphenyl)trimethylammonium Methyl Sulfate
Neostigmine methylsulfate (JP17/USP)
Carbamic acid, dimethyl-, ester with (m-hydroxyphenyl)trimethylammonium methyl sulfate
A828681
(3-(dimethylcarbamoyloxy)phenyl)trimethyl-ammoniumethylsulfate
BENZENAMINIUM, 3-(((DIMETHYLAMINO)CARBONYL)OXY)-N,N,N-TRIMETHYL-, METHYL SULPHATE
CCRIS 3274
NSC93753
HMS500J20
NEOSTIGMINE METILSULFATE [EP MONOGRAPH]
(3-(Dimethylcarbamoxy)phenyl)trimethylammonium methyl sulfate
Neostigmine methyl sulphate
EINECS 200-109-5

MDL Number

MFCD00011796

FAQ

What is 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5)?

3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5) is a quaternary ammonium compound with a complex structure. It is a white crystalline solid, typically soluble in water and polar organic solvents. This compound is known for its surfactant properties and is used in various chemical applications due to its ability to interact with both hydrophilic and hydrophobic substances.

What are the main uses of 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5)?

3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5) is primarily used in pharmaceuticals as a surfactant and emulsifier. It also finds applications in industrial processes, such as in the formulation of personal care products and as a stabilizer in chemical reactions. In research, it is used for its surface-active properties in analytical chemistry and material science.

Is 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5) safe?

3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5) is considered safe when handled properly. However, it should be used with caution, as direct contact with skin or eyes may cause irritation. Inhalation of dust or vapors should be avoided, and appropriate safety measures such as gloves and ventilation should be taken. It is generally recognized as safe (GRAS) in food applications under specific conditions.

How should 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5) be stored?

3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate (CAS: 51-60-5) should be stored in a cool, dry place, away from direct light. It is best kept in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C and in a controlled humidity environment is recommended to maintain stability and prevent degradation over time.