Compound C22H31Cl2N3O2

2-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride

CAS: 90619-35-5

Molecular Formula	`C22H31Cl2N3O2`
Molecular Weight	440.4 g/mol
Topological Polar Surface Area	43.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	439.17932
Heavy Atoms	29
Complexity	556.0

Chemical Identifiers

CAS Number	90619-35-5
SMILES	`CC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC=CCC4C3=O.Cl.Cl`
InChIKey	`FIDGHMPZAAGYOQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H31Cl2N3O2 (CAS: 90619-35-5) is a chemical compound with molecular formula C22H31Cl2N3O2 and molecular weight 440.4 g/mol. Its IUPAC systematic name is 2-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride. Topological Polar Surface Area 43.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 439.17932 Heavy Atoms 29 Complexity 556.0 InChI Key: FIDGHMPZAAGYOQ-UHFFFAOYSA-N. SMILES: CC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC=CCC4C3=O.Cl.Cl.

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