Basic information
- CAS
1234-22-6- Standard SMILES
C1CCCN(CC2CCC(CN3CCCCCC3)CC2)CC1.Cl.Cl- InChIKey
JUSNIEPCJNWQRR-UHFFFAOYSA-N- Molecular formula
- C20H40Cl2N2
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 378.2568547
Names & identifiers
- Preferred name
- Cyclohexane, 1,4-bis(hexahydroazepinylmethyl)-, dihydrochloride, (E)-
- IUPAC
- 1-[[4-(azepan-1-ylmethyl)cyclohexyl]methyl]azepane;dihydrochloride
Names & synonyms
Cyclohexane, 1,4-bis(hexahydroazepinylmethyl)-, dihydrochloride, (E)-(trans)-1,4-Bis(hexahydroazepinylmethyl)cyclohexane dihydrochloride(trans)-N,N'-(1,4-Cyclohexylenedimethylene)bis(hexahydroazepine) dihydrochlorideDTXSID70154004Azepine, N,N'-(1,4-cyclohexylenedimethylene)bis(hexahydro-, dihydrochloride, (E)-RefChem:335191DTXCID20764951234-22-61,1'-[Cyclohexane-1,4-diylbis(methylene)]bis(azepane)--hydrogen chloride (1/2)
Database identifiers
- CAS
1234-22-6- PubChem CID
- 71053
- DTXSID
DTXSID70154004
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…