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Home > Nitro Compounds > 1509397-22-1
1509397-22-1 | 3-(4-ethylpiperazin-1-yl)-N-methyl-5-nitroaniline
CAS No: 1509397-22-1 Catalog No: AG01C0DJ MDL No:MFCD23471982
Product Description
Catalog Number:
AG01C0DJ
Chemical Name:
3-(4-ethylpiperazin-1-yl)-N-methyl-5-nitroaniline
CAS Number:
1509397-22-1
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
MDL Number:
MFCD23471982
IUPAC Name:
3-(4-ethylpiperazin-1-yl)-N-methyl-5-nitroaniline
InChI:
InChI=1S/C13H20N4O2/c1-3-15-4-6-16(7-5-15)12-8-11(14-2)9-13(10-12)17(18)19/h8-10,14H,3-7H2,1-2H3
InChI Key:
UPRLMEQCUIOPSB-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1cc(NC)cc(c1)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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