Isometheptene hydrochloride
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Isometheptene hydrochloride
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CAS No:
6168-86-1
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Formula:
C9H19N.ClH
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Chemical Name:
Isometheptene hydrochloride
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Synonyms:
5-Hepten-2-amine,N,6-dimethyl-,hydrochloride (1:1);4-Hexenylamine,N,1,5-trimethyl-,hydrochloride;5-Hepten-2-amine,N,6-dimethyl-,hydrochloride;Isometheptene hydrochloride;NSC 13066;(1,5-Dimethylhex-4-enyl)methylammonium chloride
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CAS No:
Characteristics
16.61000
-1.68150
68-69 °C
177.5ºC at 760 mmHg
46.4ºC
LD50 in mice (mg/kg): 17.5 i.v.; 171 s.c. (Walton)
Computed Properties
Molecular Weight:177.71
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:177.1284273
Monoisotopic Mass:177.1284273
Topological Polar Surface Area:12
Heavy Atom Count:11
Complexity:101
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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