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3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide

3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide structure

CAS No:
88318-08-5
Formula:
C17H35Br3N4S
Chemical Name:
3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide
Synonyms:
Carbamimidothioic acid, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)propyl ester, trihydrobromide;88318-08-5;S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)-3-aminopropyl)isothiouronium trihydrobromide;DTXSID80236961

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3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide Basic Attributes

Molecular Weight：

567.3 g/mol

Exact Mass：

566.01121 g/mol

DSSTox ID：

DTXSID80236961

Characteristics

PSA：

99.2 Å²

Computed Properties

Molecular Weight:567.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:566.01121
Monoisotopic Mass:564.01326
Topological Polar Surface Area:99.2
Heavy Atom Count:25
Complexity:344
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

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Guide of 3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide

Basic Attributes
Characteristics
Computed Properties

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