2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate

Basic Information

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CAS Number

1010386-62-5

Molecular Formula

C34H41N3O7S2

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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C#CCNC(=O)CCCCCN1c2ccc(cc2C(C1=CC=CC1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)O

InChI

InChI=1S/C34H41N3O7S2/c1-7-20-35-32(38)15-10-9-11-21-37-29-19-17-25(46(42,43)44)23-27(29)34(5,6)31(37)14-12-13-30-33(3,4)26-22-24(45(39,40)41)16-18-28(26)36(30)8-2/h1,12-14,16-19,22-23H,8-11,15,20-21H2,2-6H3,(H2-,35,38,39,40,41,42,43,44)

InChIKey

DVBDEKRWCVSXGU-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

1490

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

Cy3-YNE
Sulfo-Cy3-YNE
Sulfo-Cyanine3 alkyne
3H-IndoliuM, 2-[3-[1,3-dihydro-3,3-diMethyl-1-[6-oxo-6-(2-propyn-1-ylaMino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-1-ethyl-3,3-diMethyl-5-sulfo-
2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-su
2-((E)-3-((Z)-3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
2-[3-[3,3-Dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-e
CY3-YNE

MDL Number

MFCD28968780

FAQ

What is 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5)?

2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) is a complex organic compound with potential applications in pharmaceutical research. It features a unique structure combining a 2H-indolium-5-sulfonate moiety with a propenylidene and indolyl group.

What are the main uses of 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5)?

2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) is primarily used in pharmaceutical research for its potential as a novel bioactive compound. It may also be used in chemical synthesis and material science applications.

Is 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) safe?

2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) is generally safe when stored and handled properly. However, it should be handled with caution due to its chemical complexity. Protective measures include wearing appropriate personal protective equipment, ensuring good ventilation, and following standard laboratory safety protocols.

How should 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) be stored?

2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) should be stored in a cool, dry place, away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. The storage temperature should be maintained between 10°C and 25°C, and the product should be protected from extremes of temperature and humidity.

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2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate | CAS No. 1010386-62-5

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What is 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5)?

What are the main uses of 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5)?

Is 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) safe?

How should 2-[(1E,3Z)-3-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}-1-propen-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate (CAS: 1010386-62-5) be stored?

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