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Home > Nitro Compounds > 148120-37-0
148120-37-0 | Piperazine, 1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)-
CAS No: 148120-37-0 Catalog No: AG001FGU MDL No:MFCD00810765
Product Description
Catalog Number:
AG001FGU
Chemical Name:
Piperazine, 1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)-
CAS Number:
148120-37-0
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
MDL Number:
MFCD00810765
IUPAC Name:
1-benzyl-4-[(4-nitrophenyl)methyl]piperazine
InChI:
InChI=1S/C18H21N3O2/c22-21(23)18-8-6-17(7-9-18)15-20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChI Key:
JSPBNJMOQJJJJH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.385g/mol
Monoisotopic Mass:
311.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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