RefChem:1096037
1-[(2-benzylphenyl)methyl]-4-nitrosopiperazine;(E)-but-2-enedioic acid
Also Known As: 1-(2-Benzylbenzyl)-4-nitrosopiperazine hydrogen maleate|1-Nitroso-4-((2-(phenylmethyl)phenyl)methyl)piperazine maleate|Piperazine, 1-nitroso-4-((2-(phenylmethyl)phenyl)methyl)-, (Z) -2-butenedioate (1:1)|1-[(2-benzylphenyl)methyl]-4-nitrosopiperazine; (E)-but-2-enedioic acid|Piperazine, 1-nitroso-4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.1794 g/mol |
| LogP | 2.7882 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1794 |
| Monoisotopic Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 846.08655 |
Chemical Identifiers
| CAS Number | 37652-85-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2CC3=CC=CC=C3)N=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096037 (CAS 37652-85-0), with molecular formula C22H25N3O5 and molecular weight 411.1794 g/mol. IUPAC: 1-[(2-benzylphenyl)methyl]-4-nitrosopiperazine;(E)-but-2-enedioic acid.
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