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Home > Indoles and Oxindole > 210688-56-5
210688-56-5 | 1H-Isoindol-1-one, 3-[2-[4-(3,4-dimethylphenyl)-1-piperazinyl]ethyl]-2,3-dihydro-
CAS No: 210688-56-5 Catalog No: AG002KWM MDL No:
Product Description
Catalog Number:
AG002KWM
Chemical Name:
1H-Isoindol-1-one, 3-[2-[4-(3,4-dimethylphenyl)-1-piperazinyl]ethyl]-2,3-dihydro-
CAS Number:
210688-56-5
Molecular Formula:
C22H27N3O
Molecular Weight:
349.4693
IUPAC Name:
3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one;dihydrochloride
InChI:
InChI=1S/C22H27N3O.2ClH/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21;;/h3-8,15,21H,9-14H2,1-2H3,(H,23,26);2*1H
InChI Key:
RMNWLEGGYCVHFD-UHFFFAOYSA-N
SMILES:
O=C1NC(c2c1cccc2)CCN1CCN(CC1)c1ccc(c(c1)C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.169g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.394g/mol
Monoisotopic Mass:
421.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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