Benzamidine, N'-(p-chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)-, dihydrochloride

HCID 54652

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 80785-15-5
Standard SMILES: CC(C)[NH+](CCCOc1ccc(NC(=[NH+]c2ccc(Cl)cc2)c2ccccc2)cc1)C(C)C.[Cl-].[Cl-]
InChIKey: NEKKHMXCNVYYFL-UHFFFAOYSA-N
Molecular formula: C28H36Cl3N3O
Average molar mass: 537 g/mol
Monoisotopic mass: 535.192396

Names & identifiers

Preferred name: Benzamidine, N'-(p-chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)-, dihydrochloride
IUPAC: 3-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]propyl-di(propan-2-yl)azanium dichloride

Names & synonyms

Benzamidine, N'-(p-chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)-, dihydrochloride80785-15-5N'-(p-Chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)benzamidine dihydrochlorideRefChem:322641

Database identifiers

CAS: 80785-15-5
PubChem CID: 54652

Properties

Computed structural properties

Topological polar surface area: 39.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 35
Formal charge: 0
Complexity: 551

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…