3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1)
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![3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3f90b39f9a60466494c3e2145c67d76e.png "3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1)")
3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1)
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CAS No:
84012-51-1
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Formula:
C25H30N3.C2H3O2
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Chemical Name:
3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1)
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Synonyms:
3H-Indolium,2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-,acetate (1:1);3H-Indolium,2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-,acetate
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CAS No:
3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1) Basic Attributes
431.56982
431.25700
281-691-8
Safety Information
|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:431.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:431.25727730
Monoisotopic Mass:431.25727730
Topological Polar Surface Area:70.2
Heavy Atom Count:32
Complexity:676
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1)
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