1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium

Basic Information

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CAS Number

63149-24-6

Molecular Formula

C19H23NO3S

Molecular Weight

345.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

245-258 ºC

SMILES

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CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C19H23NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11H,6-7,12-13H2,1-3H3

InChIKey

GJCURKVOCXJAIV-UHFFFAOYSA-N

LogP

4.60090

Complexity

589

Synonyms & References

English

1H-Benz[e]indolium,1,1,2-trimethyl-3-(4-sulfobutyl)-, inner salt
1-(4-SULFOBUTYL)-2,3,3-TRIMETHYLBENZ[E]INDOLIUM BETAINE
1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)-1H-BENZ[E]INDOLIUM HYDROXIDE, INNER SALT
1,1,2-Trimethyl-3-(4-sulfobutyl)benz[e]indolium Inner Salt
1-(4-Sulfobutyl)-2,3,3-trimethyl-4,5-benzoindolenine
1,1,2-trimethyl-3-(4-sulfobutyl)-1H-Benzeindoliuminnersalt
1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)-1H-BENZO[E]INDOLIUM BETHAINE
1,1,2-trimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium
3-(4-sulfobutyl)-1,1,
4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
4-(1,1,2-trimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate
4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonate
UNII-W9KRO9XD0N
1H-Benz[e]indolium, 1,1,2-trimethyl-3-(4-sulfobutyl)-, inner salt
AT25375
NS00056191
MFCD02690163
1,1,2-Trimethyl-3-(4-sulfobutyl)benz[e]indolium Inner Salt (~90%)
AKOS000270790
EINECS 263-961-7
1H-Benz(e)indolium, 1,1,2-trimethyl-3-(4-sulfobutyl)-, inner salt
EN300-18210798
DB-080759
DTXSID2069739
F9995-0130
1,1,2-trimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium inner salt
SCHEMBL15240112
1,1,2-Trimethyl-3-(4-sulfobutyl)-1H-benz[e]indolium hydroxide, inner salt
1-(4-Sulfobutyl)-2,3,3-trimethyl-4,5-benzindolium, inner salt
4-(1,1,2-Trimethyl-1H-Benzo[e]Indolium-3-yl)Butane-1-Sulfonate

MDL Number

MFCD02690163

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6)?

The compound 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for chemicals placed on the EU market, and FDA/EPA requirements for compounds used in pharmaceuticals and environmental applications. Compliance with these guidelines ensures safe handling and disposal.

Are there alternatives to 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6) in synthesis?

In synthesis, alternatives to 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6) include other indole derivatives such as 4-sulphonatobutylbenz(e)indolium and related analogs. These can be used as substitutes depending on the specific reaction conditions and desired properties.

What is the market or research trend for 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6)?

The market for 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6) is driven by its use in pharmaceutical and environmental applications. Research trends focus on its potential as a selective receptor modulator and its biodegradability, with increasing emphasis on sustainable and eco-friendly chemical compounds.

How should waste containing 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6) be handled?

Waste containing 1,1,2-Trimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium (CAS: 63149-24-6) should be managed by collecting it in appropriate containers and disposing of it through professional waste disposal services. Incineration is a common method for disposal, but proper environmental precautions must be taken to prevent contamination. Compliance with local environmental regulations is essential.