Basic information
- CAS
2056-22-6- Standard SMILES
Clc1ccccc1C[NH2+]CCCCCCC[NH2+]Cc1ccccc1Cl.[Cl-].[Cl-]- InChIKey
BILUIINOGWXODV-UHFFFAOYSA-N- Molecular formula
- C21H30Cl4N2
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 450.11631
Names & identifiers
- Preferred name
- Heptamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
- IUPAC
- (2-chlorophenyl)methyl-[7-[(2-chlorophenyl)methylazaniumyl]heptyl]azanium dichloride
Names & synonyms
N,N'-Heptamethylenebis(2-chlorobenzylamine) dihydrochloride1,7-Heptanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochlorideN,N'-Bis(o-chlorobenzyl)heptamethylenediamine dihydrochlorideBenzylamine, N,N'-heptamethylenebis(2-chloro-, dihydrochlorideHEPTAMETHYLENEDIAMINE, N,N'-BIS(o-CHLOROBENZYL)-, DIHYDROCHLORIDE2056-22-6RefChem:347199
Database identifiers
- CAS
2056-22-6- PubChem CID
- 16341
Properties
Computed structural properties
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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