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N-Benzoyl-N-Phenylhydroxylamine
CAS: 304-88-1 | C13H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
304-88-1
Molecular Formula:
C13H11NO2
Molecular Mass:
213.24 g/mol
Names and Synonyms:
N-Benzoyl-N-Phenylhydroxylamine
Benzamide, N-hydroxy-N-phenyl-
Benzohydroxamic acid, N-phenyl-
N-Hydroxy-N-phenylbenzamide
N-Phenylbenzohydroxamic acid
N-Benzoyl-N-phenylhydroxylamine
N-Hydroxybenzanilide
BPHA
N-Benzoyl-N-phenylhydroxamic acid
N-Phenyl N-benzoylhydroxamic acid
NSC 42454
Identifiers:
SMILES:
O=C(c1ccccc1)N(O)c1ccccc1
InChI:
InChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H
Key Properties
Melting Point
121-122 °C @ Solvent: Water
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.24 g/mol | CAS Common Chemistry |
| 213.23600000000002 g/mol | RDKit | |
| 213.078978592 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)N(O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H | CAS Common Chemistry |
| InChI Key | InChIKey=YLYIXDZITBMCIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121-122 °C @ Solvent: Water | CAS Common Chemistry |
| Name | N-Benzoyl-N-phenylhydroxylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
| LogP | 2.722600000000001 | RDKit |
| Molar Refractivity | 61.480000000000025 | RDKit |
