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Home > Indoles and Oxindole > 334974-35-5
334974-35-5 | 4-[4-(3-nitrobenzyl)piperazino]-1H-indole
CAS No: 334974-35-5 Catalog No: AG01CAZ8 MDL No:MFCD00832292
Product Description
Catalog Number:
AG01CAZ8
Chemical Name:
4-[4-(3-nitrobenzyl)piperazino]-1H-indole
CAS Number:
334974-35-5
Molecular Formula:
C19H20N4O2
Molecular Weight:
336.3877
MDL Number:
MFCD00832292
IUPAC Name:
4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-indole
InChI:
InChI=1S/C19H20N4O2/c24-23(25)16-4-1-3-15(13-16)14-21-9-11-22(12-10-21)19-6-2-5-18-17(19)7-8-20-18/h1-8,13,20H,9-12,14H2
InChI Key:
FGQUVUATGFAKAH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CN1CCN(CC1)c1cccc2c1cc[nH]2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.395g/mol
Monoisotopic Mass:
336.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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