Basic information
- CAS
2277-94-3- Standard SMILES
Clc1ccccc1C[NH2+]C12CCC([NH2+]Cc3ccccc3Cl)(CC1)CC2.[Cl-].[Cl-]- InChIKey
XRPBPWMZJXTYTJ-UHFFFAOYSA-N- Molecular formula
- C22H28Cl4N2
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 460.10066
Names & identifiers
- Preferred name
- 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride
- IUPAC
- (2-chlorophenyl)methyl-[4-[(2-chlorophenyl)methylazaniumyl]-1-bicyclo[2.2.2]octanyl]azanium dichloride
Names & synonyms
N,N'-Bis(2-chlorobenzyl)-1,4-bicyclo(2.2.2)octanediamine dihydrochlorideBenzylamine, N,N'-(1,4-bicyclo(2.2.2)octylene)bis(2-chloro-, dihydrochlorideN,N'-(1,4-Bicyclo(2.2.2)octylene)bis(2-chlorobenzylamine) dihydrochloride1,4-BICYCLO(2.2.2)OCTANEDIAMINE, N,N'-BIS(2-CHLOROBENZYL)-, DIHYDROCHLORIDE2277-94-3RefChem:220143
Database identifiers
- CAS
2277-94-3- PubChem CID
- 16780
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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