Basic information
- CAS
2229-40-5- Standard SMILES
Cl.Cl.Clc1ccccc1CNCCCCCCCCNCc1ccccc1Cl- InChIKey
VHBUILOKMFUWPN-UHFFFAOYSA-N- Molecular formula
- C22H32Cl4N2
- Average molar mass
- 466.3 g/mol
- Monoisotopic mass
- 464.13196
Names & identifiers
- Preferred name
- Octamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
- IUPAC
- N,N'-bis[(2-chlorophenyl)methyl]octane-1,8-diamine;dihydrochloride
Names & synonyms
2229-40-5Octamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochlorideN,N'-Octamethylenebis(2-chlorobenzylamine) dihydrochlorideN,N'-Bis(o-chlorobenzyl)octamethylenediamine dihydrochloride1,8-Octanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochlorideBenzylamine, N,N'-octamethylenebis(2-chloro-, dihydrochlorideDTXSID20176837RefChem:366793DTXCID4099328N~1~,N~8~-Bis[(2-chlorophenyl)methyl]octane-1,8-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
2229-40-5- PubChem CID
- 75216
- DTXSID
DTXSID20176837
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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