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Home > Nitro Compounds > 1260608-48-7
1260608-48-7 | Piperazine, 2-Methyl-4-(4-nitrophenyl)-1-(phenylMethyl)-, (2R)-
CAS No: 1260608-48-7 Catalog No: AG000QWG MDL No:
Product Description
Catalog Number:
AG000QWG
Chemical Name:
Piperazine, 2-Methyl-4-(4-nitrophenyl)-1-(phenylMethyl)-, (2R)-
CAS Number:
1260608-48-7
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
IUPAC Name:
(2R)-1-benzyl-2-methyl-4-(4-nitrophenyl)piperazine
InChI:
InChI=1S/C18H21N3O2/c1-15-13-20(17-7-9-18(10-8-17)21(22)23)12-11-19(15)14-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3/t15-/m1/s1
InChI Key:
KVVHLVWUCHNLKS-OAHLLOKOSA-N
SMILES:
C[C@@H]1CN(CCN1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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