Compound C28H37Cl2N3O

2-[4-[[benzylazaniumylidene(phenyl)methyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride

CAS: 80784-93-6

Molecular Formula	`C28H37Cl2N3O`
Molecular Weight	502.5 g/mol
Topological Polar Surface Area	39.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	11
Exact Mass	501.23135
Heavy Atoms	34
Complexity	519.0

Chemical Identifiers

CAS Number	80784-93-6
SMILES	`CC(C)[NH+](CCOC1=CC=C(C=C1)NC(=[NH+]CC2=CC=CC=C2)C3=CC=CC=C3)C(C)C.[Cl-].[Cl-]`
InChIKey	`DLMPYDPJXUUTHT-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H37Cl2N3O (CAS: 80784-93-6) is a chemical compound with molecular formula C28H37Cl2N3O and molecular weight 502.5 g/mol. Its IUPAC systematic name is 2-[4-[[benzylazaniumylidene(phenyl)methyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride. Topological Polar Surface Area 39.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 11 Exact Mass 501.23135 Heavy Atoms 34 Complexity 519.0 InChI Key: DLMPYDPJXUUTHT-UHFFFAOYSA-N. SMILES: CC(C)[NH+](CCOC1=CC=C(C=C1)NC(=[NH+]CC2=CC=CC=C2)C3=CC=CC=C3)C(C)C.[Cl-].[Cl-].

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