Compound C21H42Cl3N3O4

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

CAS: 23462-18-2

Molecular Formula	`C21H42Cl3N3O4`
Molecular Weight	506.9 g/mol
Topological Polar Surface Area	22.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	505.2241
Heavy Atoms	31
Complexity	379.0

Chemical Identifiers

CAS Number	23462-18-2
SMILES	`C1CC2CN(CC(C1)N2CCCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl`
InChIKey	`ZTAJMMJBGABFBU-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H42Cl3N3O4 (CAS: 23462-18-2) is a chemical compound with molecular formula C21H42Cl3N3O4 and molecular weight 506.9 g/mol. Its IUPAC systematic name is 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride. Topological Polar Surface Area 22.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 505.2241 Heavy Atoms 31 Complexity 379.0 InChI Key: ZTAJMMJBGABFBU-UHFFFAOYSA-N. SMILES: C1CC2CN(CC(C1)N2CCCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl.

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