Compound C20H40Cl3N3O4

4-[2-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl]morpholine;trihydrate;trihydrochloride

CAS: 23462-14-8

Molecular Formula	`C20H40Cl3N3O4`
Molecular Weight	492.9 g/mol
Topological Polar Surface Area	22.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	491.20844
Heavy Atoms	30
Complexity	365.0

Chemical Identifiers

CAS Number	23462-14-8
SMILES	`C1CC2CN(CC(C1)N2CCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl`
InChIKey	`PTGXLHGHQPXKGN-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H40Cl3N3O4 (CAS: 23462-14-8) is a chemical compound with molecular formula C20H40Cl3N3O4 and molecular weight 492.9 g/mol. Its IUPAC systematic name is 4-[2-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl]morpholine;trihydrate;trihydrochloride. Topological Polar Surface Area 22.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 491.20844 Heavy Atoms 30 Complexity 365.0 InChI Key: PTGXLHGHQPXKGN-UHFFFAOYSA-N. SMILES: C1CC2CN(CC(C1)N2CCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl.

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