Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride
Basic information
- CAS
80785-09-7- Standard SMILES
COc1ccc(NC(=[NH+]c2ccc(OCC[NH+](C(C)C)C(C)C)cc2)c2ccccc2)cc1.[Cl-].[Cl-]- InChIKey
SAPKLIKREWRSLO-UHFFFAOYSA-N- Molecular formula
- C28H37Cl2N3O2
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 517.2262828
Names & identifiers
- Preferred name
- Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride
- IUPAC
- 2-[4-[(4-methoxyanilino)-phenylmethylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride
Names & synonyms
Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride80785-09-7N-(p-(2-(Diisopropylamino)ethoxy)phenyl)-N'-(p-methoxyphenyl)benzamidine dihydrochlorideRefChem:322665
Database identifiers
- CAS
80785-09-7- PubChem CID
- 54646
Properties
Computed structural properties
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 549
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Compound notes
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