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Home > Nitro Compounds > 5367-67-9
5367-67-9 | 4-(4-Methyl-1-piperazinyl)-3-nitroaniline
CAS No: 5367-67-9 Catalog No: AG00I9KI MDL No:MFCD09027737
Product Description
Catalog Number:
AG00I9KI
Chemical Name:
4-(4-Methyl-1-piperazinyl)-3-nitroaniline
CAS Number:
5367-67-9
Molecular Formula:
C11H16N4O2
Molecular Weight:
236.2703
MDL Number:
MFCD09027737
IUPAC Name:
4-(4-methylpiperazin-1-yl)-3-nitroaniline
InChI:
InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)10-3-2-9(12)8-11(10)15(16)17/h2-3,8H,4-7,12H2,1H3
InChI Key:
MRKLOFJXWXDNEO-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.275g/mol
Monoisotopic Mass:
236.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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