N'-[3-(1-adamantyl)propyl]-2-[[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanyl]ethanimidamidehydratedihydrochloride
N'-[3-(1-adamantyl)propyl]-2-[[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride
| Molecular Formula | C30H54Cl2N4OS2 |
|---|---|
| Molecular Weight | 621.8 g/mol |
| Topological Polar Surface Area | 128.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.3116 |
| Heavy Atoms | 39 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 64058-79-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CCCN=C(CSSCC(=NCCCC45CC6CC(C4)CC(C6)C5)N)N.O.Cl.Cl |
| InChIKey | PDVRHNOYDKBSNX-UHFFFAOYSA-N |
📖 Product Overview
N'-[3-(1-adamantyl)propyl]-2-[[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanyl]ethanimidamidehydratedihydrochloride (CAS: 64058-79-3) is a chemical compound with molecular formula C30H54Cl2N4OS2 and molecular weight 621.8 g/mol. Its IUPAC systematic name is N'-[3-(1-adamantyl)propyl]-2-[[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride.
PDVRHNOYDKBSNX-UHFFFAOYSA-N.
SMILES: C1C2CC3CC1CC(C2)(C3)CCCN=C(CSSCC(=NCCCC45CC6CC(C4)CC(C6)C5)N)N.O.Cl.Cl.
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