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Home > Nitro Compounds > 381706-35-0
381706-35-0 | 1-benzyl-4-(5-nitropyridin-2-yl)piperazine
CAS No: 381706-35-0 Catalog No: AG00IZ2S MDL No:MFCD01826421
Product Description
Catalog Number:
AG00IZ2S
Chemical Name:
1-benzyl-4-(5-nitropyridin-2-yl)piperazine
CAS Number:
381706-35-0
Molecular Formula:
C16H18N4O2
Molecular Weight:
298.3397
MDL Number:
MFCD01826421
IUPAC Name:
1-benzyl-4-(5-nitropyridin-2-yl)piperazine
InChI:
InChI=1S/C16H18N4O2/c21-20(22)15-6-7-16(17-12-15)19-10-8-18(9-11-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChI Key:
JOIDIVUDKPRTIS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.346g/mol
Monoisotopic Mass:
298.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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