| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM135206-1 |
| Product Name | Cupferron |
| CAS | 135-20-6 |
| Structure |  |
| Synonyms | N-Nitrosophenylhydroxylamine ammonium salt |
| IUPAC Name | Azanium;(Z)-oxido-oxidoimino-phenylazanium |
| Molecular Weight | 155.15 |
| Molecular Formula | C6H9N3O2 |
| Canonical SMILES | C1=CC=C(C=C1)[N+](=N[O-])[O-].[NH4+] |
| InChI | InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,9H;1H3/b8-7-; |
| InChIKey | GXCSNALCLRPEAS-CFYXSCKTSA-N |
| Boiling Point | 278.95 °C |
| Melting Point | 150-155 °C |
| Purity | 98%+ |
| Complexity | 130 |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 155.069476538 |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isomeric SMILES | C1=CC=C(C=C1)/[N+](=N/[O-])/[O-].[NH4+] |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 155.069476538 |
| Physical State | Needles from water powder |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.2 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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