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Home > Indoles and Oxindole > 93897-97-3
93897-97-3 | 2-(2-Piperazin-1-ylethyl)-1H-isoindole-1,3(2H)-dione dihydrochloride
CAS No: 93897-97-3 Catalog No: AG01APK2 MDL No:MFCD08582805
Product Description
Catalog Number:
AG01APK2
Chemical Name:
2-(2-Piperazin-1-ylethyl)-1H-isoindole-1,3(2H)-dione dihydrochloride
CAS Number:
93897-97-3
Molecular Formula:
C14H19Cl2N3O2
Molecular Weight:
332.2256
MDL Number:
MFCD08582805
IUPAC Name:
2-(2-piperazin-1-ylethyl)isoindole-1,3-dione;dihydrochloride
InChI:
InChI=1S/C14H17N3O2.2ClH/c18-13-11-3-1-2-4-12(11)14(19)17(13)10-9-16-7-5-15-6-8-16;;/h1-4,15H,5-10H2;2*1H
InChI Key:
JISBVHXAZYPOHS-UHFFFAOYSA-N
SMILES:
O=C1N(CCN2CCNCC2)C(=O)c2c1cccc2.Cl.Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
332.225g/mol
Monoisotopic Mass:
331.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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