Acetamidine, 2,2'-dithiobis(N-cycloheptyl-, dihydrochloride, hydrate (4:8:5)
Basic information
- CAS
40284-19-3- Standard SMILES
Cl.Cl.NC(CSSCC(N)=NC1CCCCCC1)=NC1CCCCCC1- InChIKey
DELIDJVURHPKPP-UHFFFAOYSA-N- Molecular formula
- C18H36Cl2N4S2
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 442.1758449
Names & identifiers
- Preferred name
- Acetamidine, 2,2'-dithiobis(N-cycloheptyl-, dihydrochloride, hydrate (4:8:5)
- IUPAC
- 2-[(2-amino-2-cycloheptyliminoethyl)disulfanyl]-N'-cycloheptylethanimidamide;dihydrochloride
Names & synonyms
40284-19-3Acetamidine, 2,2'-dithiobis(N-cycloheptyl-, dihydrochloride, hydrate (4:8:5)RefChem:10754052,2'-Dithiobis(N-cycloheptylacetamidine) dihydrochloride hydrate (4:8:5)DTXSID209607132,2'-Disulfanediylbis(N-cycloheptylethanimidamide)--hydrogen chloride (1/2)
Database identifiers
- CAS
40284-19-3- PubChem CID
- 218174
- DTXSID
DTXSID20960713
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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