2-(2-Diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one HCl hydrate (5:10:12)

Base Information

• Chemical Name: 2-(2-Diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one HCl hydrate (5:10:12)
• CAS No.: 116870-86-1
• Molecular Formula: C22H29 N3 O . 2 Cl H
• Molecular Weight: 424.407
• DSSTox Substance ID: DTXSID20922194

Synonyms:2-(2-Diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one HCl hydrate (5:10:12);116870-86-1;1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(4-(dimethylamino)phenyl)-, hydrochloride, hydrate (5:10:12);DTXSID20922194;C22H29N3O.2ClH.12/5H2O;LS-84749;C22-H29-N3-O.2Cl-H.12/5H2-O;2-[2-(Diethylamino)ethyl]-3-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/2)

Chemical Property of 2-(2-Diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one HCl hydrate (5:10:12)

Chemical Property:

• Vapor Pressure: 6.39E-10mmHg at 25°C
• Boiling Point: 494.5°C at 760 mmHg
• Flash Point: 201°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 423.1844180
• Heavy Atom Count: 28
• Complexity: 454

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)N(C)C.Cl.Cl

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