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Home > Indoles and Oxindole > 6820-93-5
6820-93-5 | 2-(2-piperazin-1-ylethyl)-1H-isoindole-1,3(2H)-dione dihydrochloride
CAS No: 6820-93-5 Catalog No: AG00JHHN MDL No:MFCD04225880
Product Description
Catalog Number:
AG00JHHN
Chemical Name:
2-(2-piperazin-1-ylethyl)-1H-isoindole-1,3(2H)-dione dihydrochloride
CAS Number:
6820-93-5
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD04225880
IUPAC Name:
2-(2-piperazin-1-ylethyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H17N3O2/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
InChI Key:
RNVRPMJIWZILNQ-UHFFFAOYSA-N
SMILES:
O=C1N(CCN2CCNCC2)C(=O)c2c1cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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