Basic information
- CAS
38920-75-1- Standard SMILES
C1CCCC(OCCCCCNCCSSCCNCCCCCOC2CCCCCCC2)CCC1.Cl.Cl- InChIKey
PNGZYAFKYHGPOG-UHFFFAOYSA-N- Molecular formula
- C30H62Cl2N2O2S2
- Average molar mass
- 617.9 g/mol
- Monoisotopic mass
- 616.362977
Names & identifiers
- Preferred name
- Pentylamine, N,N'-dithiodiethylenebis(5-cyclooctyloxy-, dihydrochloride
- IUPAC
- 5-cyclooctyloxy-N-[2-[2-(5-cyclooctyloxypentylamino)ethyldisulfanyl]ethyl]pentan-1-amine;dihydrochloride
Names & synonyms
Pentylamine, N,N'-dithiodiethylenebis(5-cyclooctyloxy-, dihydrochlorideN,N'-Dithiodiethylenebis(5-cyclooctyloxypentylamine) dihydrochloride38920-75-1Bis-2-((5-cyclooctyloxypentyl)amino)ethyldisulfide dihydrochlorideDTXSID30192205Disulfide, bis(2-((5-cyclooctyloxypentyl)amino)ethyl)-, dihydrochlorideRefChem:368290DTXCID00114696N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis[5-(cyclooctyloxy)pentan-1-amine]--hydrogen chloride (1/2)
Database identifiers
- CAS
38920-75-1- PubChem CID
- 217550
- DTXSID
DTXSID30192205
Properties
Computed structural properties
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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