Basic information
- CAS
1877-12-9- Standard SMILES
Clc1ccccc1C[NH2+]CC12CCC(C[NH2+]Cc3ccccc3Cl)(CC1)CC2.[Cl-].[Cl-]- InChIKey
BWHXHUIEBAPNLG-UHFFFAOYSA-N- Molecular formula
- C24H32Cl4N2
- Average molar mass
- 490.3 g/mol
- Monoisotopic mass
- 488.13196
Names & identifiers
- Preferred name
- 1,4-Bicyclo(2.2.2)octanebis(methylamine), N,N'-bis(2-chlorobenzyl)-, dihydrochloride
- IUPAC
- (2-chlorophenyl)methyl-[[4-[[(2-chlorophenyl)methylazaniumyl]methyl]-1-bicyclo[2.2.2]octanyl]methyl]azanium dichloride
Names & synonyms
1,4-Bicyclo(2.2.2)octanebis(methylamine), N,N'-bis(2-chlorobenzyl)-, dihydrochloride1877-12-9Benzylamine, N,N'-(1,4-bicyclo(2.2.2)octylenedimethylene)bis(2-chloro-, dihydrochlorideN,N'-(1,4-Bicyclo(2.2.2)octylenedimethylene)bis(2-chlorobenzylamine) dihydrochlorideN,N'-Bis(2-chlorobenzyl)-1,4-bicyclo(2.2.2)octanebis(methylamine) dihydrochlorideRefChem:220140
Database identifiers
- CAS
1877-12-9- PubChem CID
- 15869
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…