1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-1,1-dimethyl-, perchlorate (1:1)
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1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-1,1-dimethyl-, perchlorate (1:1)
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CAS No:
121482-73-3
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Formula:
C41H47N2.ClO4
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Chemical Name:
1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-1,1-dimethyl-, perchlorate (1:1)
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Synonyms:
1H-Benz[e]indolium,3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-1,1-dimethyl-,perchlorate (1:1);1H-Benz[e]indolium,3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadienyl]-1,1-dimethyl-,perchlorate;NK 3219;NC 22;OM 57
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CAS No:
1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-1,1-dimethyl-, perchlorate (1:1) Basic Attributes
667.28
666.32200
Safety Information
|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P264, P270, P280, P301+P312, P330, P370+P378, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:667.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:666.3224357
Monoisotopic Mass:666.3224357
Topological Polar Surface Area:80.5
Heavy Atom Count:48
Complexity:1100
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-1,1-dimethyl-, perchlorate (1:1)
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