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Home > Nitro Compounds > 1240573-23-2
1240573-23-2 | 2-methyl-1-[2-(4-nitrophenyl)ethyl]piperazine
CAS No: 1240573-23-2 Catalog No: AG00JVB1 MDL No:
Product Description
Catalog Number:
AG00JVB1
Chemical Name:
2-methyl-1-[2-(4-nitrophenyl)ethyl]piperazine
CAS Number:
1240573-23-2
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
2-methyl-1-[2-(4-nitrophenyl)ethyl]piperazine
InChI:
InChI=1S/C13H19N3O2/c1-11-10-14-7-9-15(11)8-6-12-2-4-13(5-3-12)16(17)18/h2-5,11,14H,6-10H2,1H3
InChI Key:
DJJBWWMTXSWIMO-UHFFFAOYSA-N
SMILES:
CC1CNCCN1CCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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