Basic information
- CAS
63991-61-7- Standard SMILES
C[NH2+]Cc1ccc(OCCCCCCOc2ccc(C[NH2+]C)cc2)cc1.[Cl-].[Cl-]- InChIKey
LSGVKAZQHAFARS-UHFFFAOYSA-N- Molecular formula
- C22H34Cl2N2O2
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 428.1997337
Names & identifiers
- Preferred name
- Benzylamine, 4,4'-hexamethylenedioxybis(N-methyl-, dihydrochloride
- IUPAC
- methyl-[[4-[6-[4-[(methylazaniumyl)methyl]phenoxy]hexoxy]phenyl]methyl]azanium dichloride
Names & synonyms
1,6-Bis(p-methylaminomethylphenoxy)hexane dihydrochloride63991-61-7BENZYLAMINE, 4,4'-HEXAMETHYLENEDIOXYBIS(N-METHYL-, DIHYDROCHLORIDERefChem:328772
Database identifiers
- CAS
63991-61-7- PubChem CID
- 46290
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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