Compound C27H42Cl2N2O6

1,4-bis[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride

CAS: 86010-45-9

Molecular Formula	`C27H42Cl2N2O6`
Molecular Weight	561.5 g/mol
Topological Polar Surface Area	64.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	560.242
Heavy Atoms	37
Complexity	508.0

Chemical Identifiers

CAS Number	86010-45-9
SMILES	`COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCC[NH+](CC2)CCC3=CC(=C(C(=C3)OC)OC)OC.[Cl-].[Cl-]`
InChIKey	`NPUVAGMPEAYNTK-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H42Cl2N2O6 (CAS: 86010-45-9) is a chemical compound with molecular formula C27H42Cl2N2O6 and molecular weight 561.5 g/mol. Its IUPAC systematic name is 1,4-bis[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride. Topological Polar Surface Area 64.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 12 Exact Mass 560.242 Heavy Atoms 37 Complexity 508.0 InChI Key: NPUVAGMPEAYNTK-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCC[NH+](CC2)CCC3=CC(=C(C(=C3)OC)OC)OC.[Cl-].[Cl-].

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