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Home > Nitro Compounds > 681004-49-9
681004-49-9 | 1-Methyl-4-(2-Methyl-4-nitrophenyl)piperazine
CAS No: 681004-49-9 Catalog No: AG00FGW0 MDL No:MFCD11039654
Product Description
Catalog Number:
AG00FGW0
Chemical Name:
1-Methyl-4-(2-Methyl-4-nitrophenyl)piperazine
CAS Number:
681004-49-9
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD11039654
IUPAC Name:
1-methyl-4-(2-methyl-4-nitrophenyl)piperazine
InChI:
InChI=1S/C12H17N3O2/c1-10-9-11(15(16)17)3-4-12(10)14-7-5-13(2)6-8-14/h3-4,9H,5-8H2,1-2H3
InChI Key:
DUUNJNHSMBYVAY-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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