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Home > Nitro Compounds > 347353-82-6
347353-82-6 | N-Cyclopropyl-N-[2-nitro-5-(1-piperazinyl)]aniline
CAS No: 347353-82-6 Catalog No: AG00JA9T MDL No:MFCD02217659
Product Description
Catalog Number:
AG00JA9T
Chemical Name:
N-Cyclopropyl-N-[2-nitro-5-(1-piperazinyl)]aniline
CAS Number:
347353-82-6
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
MDL Number:
MFCD02217659
IUPAC Name:
N-cyclopropyl-2-nitro-5-piperazin-1-ylaniline
InChI:
InChI=1S/C13H18N4O2/c18-17(19)13-4-3-11(16-7-5-14-6-8-16)9-12(13)15-10-1-2-10/h3-4,9-10,14-15H,1-2,5-8H2
InChI Key:
PLIVQOBEHAUGLU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1NC1CC1)N1CCNCC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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