Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride
Basic information
- CAS
80785-10-0- Standard SMILES
COc1ccc(NC(=[NH+]c2ccc(OCCC[NH+](C(C)C)C(C)C)cc2)c2ccccc2)cc1.[Cl-].[Cl-]- InChIKey
NZSWOCKGDRTOKT-UHFFFAOYSA-N- Molecular formula
- C29H39Cl2N3O2
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 531.2419329
Names & identifiers
- Preferred name
- Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochloride
- IUPAC
- 3-[4-[(4-methoxyanilino)-phenylmethylidene]azaniumylphenoxy]propyl-di(propan-2-yl)azanium dichloride
Names & synonyms
80785-10-0Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-(p-methoxyphenyl)-, dihydrochlorideN-(p-(3-(Diisopropylamino)propoxy)phenyl)-N'-(p-methoxyphenyl)benzamidine dihydrochlorideRefChem:322675
Database identifiers
- CAS
80785-10-0- PubChem CID
- 54648
Properties
Computed structural properties
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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