Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate

bis(N'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamide);hydrate;tetrahydrochloride

CAS: 64059-02-5

Molecular Formula	`C52H90Cl4N8OS4`
Molecular Weight	1113.4 g/mol
Topological Polar Surface Area	256.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	9
Rotatable Bonds	18
Exact Mass	1112.4845
Heavy Atoms	69
Complexity	629.0

Chemical Identifiers

CAS Number	64059-02-5
SMILES	`C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.O.Cl.Cl.Cl.Cl`
InChIKey	`IMPXODIHOQJCRK-UHFFFAOYSA-N`

📖 Product Overview

Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate (CAS: 64059-02-5) is a chemical compound with molecular formula C52H90Cl4N8OS4 and molecular weight 1113.4 g/mol. Its IUPAC systematic name is bis(N'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamide);hydrate;tetrahydrochloride. Topological Polar Surface Area 256.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 9 Rotatable Bonds 18 Exact Mass 1112.4845 Heavy Atoms 69 Complexity 629.0 InChI Key: IMPXODIHOQJCRK-UHFFFAOYSA-N. SMILES: C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.O.Cl.Cl.Cl.Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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