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Molecule
Cupferron
CAS: 135-20-6 · C6H9N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 135-20-6
- Molecular Formula
- C6H9N3O2
- Molecular Mass
- 155.16 g/mol
Identifiers
CAS Registry Number
135-20-6
SMILES
N.O=NN(O)c1ccccc1
InChI Key
NJVHCUNZAMFQNA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3
Names and Synonyms
- Cupferron Synonym
- Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1) Synonym
- Hydroxylamine, N-nitroso-N-phenyl-, ammonium salt Synonym
- Benzenamine, N-hydroxy-N-nitroso-, ammonium salt Synonym
- Cupferron Synonym
- N-Nitroso-N-phenylhydroxylamine ammonium salt Synonym
- N-Nitroso-N-phenylhydroxyamine ammonium salt Synonym
- Kupferron Synonym
- Q 1300 Synonym
- N-Nitroso-N-phenylhydroxyamine-ammonium compd. Synonym
- Ammonium N-nitroso-N-phenylhydroxylamine Synonym
- Ammonium N-nitroso-N-phenylhydroxylaminato Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Cupferron | CAS Common Chemistry |
| Melting Point | 163-164 °C | CAS Common Chemistry |
| Molecular Mass | 155.16 g/mol | CAS Common Chemistry |
| 155.15699999999998 g/mol | RDKit | |
| 155.157 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cupferron | CAS Common Chemistry |
| Canonical SMILES | O=NN(O)C=1C=CC=CC1.N | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NJVHCUNZAMFQNA-UHFFFAOYSA-N | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 87.9 Ų | RDKit |
| LogP | 1.7255999999999998 | RDKit |
| 1.7256 | RDKit | |
| Molar Refractivity | 41.52460000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 155.069476528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 155.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9N3O2.
