Home Nitro Compounds 96103-52-5
96103-52-5,MFCD00545958
Catalog No.:AA003HPE
96103-52-5 | 2-Nitro-5-(1-piperazinyl)aniline
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Technical Information
Catalog Number:
AA003HPE
Chemical Name:
2-Nitro-5-(1-piperazinyl)aniline
CAS Number:
96103-52-5
Molecular Formula:
C10H14N4O2
Molecular Weight:
222.2438
MDL Number:
MFCD00545958
IUPAC Name:
2-nitro-5-piperazin-1-ylaniline
InChI:
InChI=1S/C10H14N4O2/c11-9-7-8(1-2-10(9)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6,11H2
InChI Key:
GKHFASZRZGVHRT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1N)N1CCNCC1
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.248g/mol
Monoisotopic Mass:
222.112g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
2-Nitro-5-(1-piperazinyl)aniline 
96103-52-5 
Oprea1_379423 
MLS000561713 
SCHEMBL1913506 
CHEMBL1388061 
2-nitro-5-piperazin-1-ylaniline 
HMS2536O15 
ZINC3877854 
5-(Piperazin-1-yl)-2-nitroaniline 
5594AJ 
MFCD00545958 
2-nitro-5-(piperazin-1-yl)aniline 
STK002549 
2-Nitro-5-(1-piperazinyl)aniline # 
AKOS000294631 
MCULE-4365478734 
TRA0091980 
AJ-46499 
AS-32211 
BAS 00253696 
DA-17634 
ST006454 
2-Nitro-5-piperazin-1-yl-phenylamine 
SY018665 
AB0050902 
AX8268494 
BC4124925 
TC-307140 
FT-0765663 
2-nitro-5-piperazin-1-ylaniline, AldrichCPR 
Z-4464 
AB00074316-01 
MFCD00545958 (95+%) 
Benzenamine, 2-nitro-5-(1-piperazinyl)- 
C10H14N4O2 
CID602112 
134441-61-5 
2-nitro-5-piperazinylphenylamine 
GKHFASZRZGVHRT-UHFFFAOYSA-N 
SMR000174165 
AC1LCL0W 
Cambridge id 5139339 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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