3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1)
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![3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6b9166ac919c4950a129269b37606b5d.png "3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1)")
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1)
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CAS No:
19764-96-6
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Formula:
C29H33N2.I
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Chemical Name:
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1)
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Synonyms:
3H-Indolium,2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-,iodide (1:1);3H-Indolium,1,3,3-trimethyl-2-[7-(1,3,3-trimethyl-2-indolinylidene)-1,3,5-heptatrienyl]-,iodide;3H-Indolium,2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-,iodide;1,3,3,1′,3′,3′-Hexamethylindoletricarbocyanine iodide;1,1′,3,3,3′,3′-Hexamethylindotricarbocyanine iodide;1,3,3,1′,3′,3′-Hexamethyl-2,2′-indotricarbocyanine iodide;HEXA;1,1′,3,3,3′,3′-Hexamethyl-2,2′-indotricarbocyanine iodide;NK 125;HITC;Hexacyanine 3;Hexacyanin 3;HITCI;1,1′,3,3,3′,3′-Hexamethylindoletricarbocyanine iodide;2-[7-(1,3,3-Trimethylindoline-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indolium iodide;LC 8500;59873-60-8;85537-49-1
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CAS No:
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1) Basic Attributes
536.5 g/mol
536.16885 g/mol
243-282-2
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1) Use and Manufacturing
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, iodide (1:1): ACTIVE
Computed Properties
Molecular Weight:536.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:536.16885
Monoisotopic Mass:536.16885
Topological Polar Surface Area:6.2
Heavy Atom Count:32
Complexity:756
Undefined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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