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Home > Indoles and Oxindole > 6820-96-8
6820-96-8 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(4-methyl-1-piperazinyl)propyl]-
CAS No: 6820-96-8 Catalog No: AG006D69 MDL No:
Product Description
Catalog Number:
AG006D69
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(4-methyl-1-piperazinyl)propyl]-
CAS Number:
6820-96-8
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
IUPAC Name:
2-[3-(4-methylpiperazin-1-yl)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H21N3O2/c1-17-9-11-18(12-10-17)7-4-8-19-15(20)13-5-2-3-6-14(13)16(19)21/h2-3,5-6H,4,7-12H2,1H3
InChI Key:
GMBXTUIJIVGYFE-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.363g/mol
Monoisotopic Mass:
287.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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