1-(2-bromo-1-adamantyl)-N,N-dimethyl-methanamine hydrate dihydrochloride
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1-(2-bromo-1-adamantyl)-N,N-dimethyl-methanamine hydrate dihydrochloride
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CAS No:
66969-02-6
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Formula:
C26H48Br2Cl2N2O
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Chemical Name:
1-(2-bromo-1-adamantyl)-N,N-dimethyl-methanamine hydrate dihydrochloride
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Synonyms:
2-Bromo-N,N-dimethyl-1-adamantanemethanamine hydrochloride hemihydrate;Adamantane, 2-bromo-1-(N,N-dimethylaminomethyl)-, hydrochloride hemihydrate;1-ADAMANTANEMETHYLAMINE, 2-BROMO-N,N-DIMETHYL-, HYDROCHLORIDE, HEMIHYDRATE;DTXSID40985781;LS-15016;1-(2-Bromoadamantan-1-yl)-N,N-dimethylmethanamine--hydrogen chloride--water (2/2/1)
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CAS No:
1-(2-bromo-1-adamantyl)-N,N-dimethyl-methanamine hydrate dihydrochloride Basic Attributes
635.391
634.149
Characteristics
7.5
Oral-mouse LD50: 413 mg/kg; peritoneal-mouse LD50: 159 mg/kg
Thermal decomposition emits toxic nitrogen oxide, bromide and chloride fumes
Safety Information
The warehouse is ventilated, low temperature and dry; stored separately from food raw materials
Computed Properties
Molecular Weight:635.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:634.14900
Monoisotopic Mass:632.15104
Topological Polar Surface Area:7.5
Heavy Atom Count:33
Complexity:249
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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1-(2-bromo-1-adamantyl)-N,N-dimethyl-methanamine hydrate dihydrochloride
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