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Home Halogens Benzenamine, 3-chloro-2-(4-methyl-1-piperazinyl)-

Benzenamine, 3-chloro-2-(4-methyl-1-piperazinyl)-

CAS No.:
189761-97-5
Catalog Number:
AG002DXG
Molecular Formula:
C11H16ClN3
Molecular Weight:
225.7178
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG002DXG
Chemical Name:
Benzenamine, 3-chloro-2-(4-methyl-1-piperazinyl)-
CAS Number:
189761-97-5
Molecular Formula:
C11H16ClN3
Molecular Weight:
225.7178
MDL Number:
MFCD06589787
IUPAC Name:
3-chloro-2-(4-methylpiperazin-1-yl)aniline
InChI:
InChI=1S/C11H16ClN3/c1-14-5-7-15(8-6-14)11-9(12)3-2-4-10(11)13/h2-4H,5-8,13H2,1H3
InChI Key:
VNTFENAMCOIFBF-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1c(N)cccc1Cl
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.103g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.72g/mol
Monoisotopic Mass:
225.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties