9,9'-Heptamethylenedioxybis(o-phenyleneimino)bisacridine dihydrochloride
Basic information
- CAS
66724-91-2- Standard SMILES
[Cl-].[Cl-].c1ccc(OCCCCCCCOc2ccccc2[NH2+]c2c3ccccc3nc3ccccc23)c([NH2+]c2c3ccccc3nc3ccccc23)c1- InChIKey
KEGAPPZJBCHCOU-UHFFFAOYSA-N- Molecular formula
- C45H42Cl2N4O2
- Average molar mass
- 741.7 g/mol
- Monoisotopic mass
- 740.268482
Names & identifiers
- Preferred name
- 9,9'-Heptamethylenedioxybis(o-phenyleneimino)bisacridine dihydrochloride
- IUPAC
- acridin-9-yl-[2-[7-[2-(acridin-9-ylazaniumyl)phenoxy]heptoxy]phenyl]azanium dichloride
Names & synonyms
9,9'-Heptamethylenedioxybis(o-phenyleneimino)bisacridine dihydrochloride66724-91-2ACRIDINE, 9,9'-HEPTAMETHYLENEDIOXYBIS(o-PHENYLENEIMINO)BIS-, DIHYDROCHLORIDE
Database identifiers
- CAS
66724-91-2- PubChem CID
- 47995
Properties
Computed structural properties
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 906
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Compound notes
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