Basic information
- CAS
64058-79-3- Standard SMILES
Cl.Cl.NC(CSSCC(N)=NCCCC12CC3CC(CC(C3)C1)C2)=NCCCC12CC3CC(CC(C3)C1)C2.O- InChIKey
PDVRHNOYDKBSNX-UHFFFAOYSA-N- Molecular formula
- C30H54Cl2N4OS2
- Average molar mass
- 621.8 g/mol
- Monoisotopic mass
- 620.3116101
Names & identifiers
- Preferred name
- Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate
- IUPAC
- N'-[3-(1-adamantyl)propyl]-2-[[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride
Names & synonyms
64058-79-3Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrateDTXSID502142362,2'-Dithiobis(N-(3-(1-admantyl)propyl)acetamidine) dihydrochloride hydrateRefChem:315630DTXCID50136727(1Z)-N'-[3-(Adamantan-1-yl)propyl]{[(2E)-2-{[3-(adamantan-1-yl)propyl]imino}-2-aminoethyl]disulfanyl}ethanimidamide--hydrogen chloride--water (1/2/1)
Database identifiers
- CAS
64058-79-3- PubChem CID
- 64449
- DTXSID
DTXSID50214236
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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