Home Halogens Piperazine, 1-[2-[(2-amino-4-chlorophenyl)amino]benzoyl]-4-methyl-

Piperazine, 1-[2-[(2-amino-4-chlorophenyl)amino]benzoyl]-4-methyl-

CAS No.:
65514-71-8
Catalog Number:
AG006PXD
Molecular Formula:
C18H21ClN4O
Molecular Weight:
344.8385
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Product Description
Catalog Number:
AG006PXD
Chemical Name:
Piperazine, 1-[2-[(2-amino-4-chlorophenyl)amino]benzoyl]-4-methyl-
CAS Number:
65514-71-8
Molecular Formula:
C18H21ClN4O
Molecular Weight:
344.8385
MDL Number:
MFCD28154636
IUPAC Name:
[2-(2-amino-4-chloroanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
InChI:
InChI=1S/C18H21ClN4O/c1-22-8-10-23(11-9-22)18(24)14-4-2-3-5-16(14)21-17-7-6-13(19)12-15(17)20/h2-7,12,21H,8-11,20H2,1H3
InChI Key:
GDTYMTKNSABJKZ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccccc1Nc1ccc(cc1N)Cl
EC Number:
613-811-5
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.14g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
344.843g/mol
Monoisotopic Mass:
344.14g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties