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Phenylhydroxylamine
CAS: 100-65-2 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-65-2
Molecular Formula:
C6H7NO
Molecular Weight:
109.12799999999997 g/mol
Names and Synonyms:
Phenylhydroxylamine
N-Hydroxyaniline
Phenylhydroxylamine
N-Hydroxybenzenamine
Hydroxyaminobenzene
Hydroxylamine, N-phenyl-
Benzenamine, N-hydroxy-
NSC 223099
N-Phenylhydroxylamine
Hydroxylamine, β-phenyl-
Phenylhydroxyamine
β-Phenylhydroxylamine
Identifiers:
SMILES:
ONc1ccccc1
InChI:
InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 109.12799999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.26 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.4876999999999998 | RDKit |
| molecular_mass | 109.13 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phenylhydroxylamine None | Legacy Database |
| cas-canonical-smile | ONC=1C=CC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H None | Legacy Database |
| cas-inchi-key | InChIKey=CKRZKMFTZCFYGB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 82 °C None | Legacy Database |
| cas-name | N-Phenylhydroxylamine None | Legacy Database |
| wikipedia-name | Phenylhydroxylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.8512 | RDKit |
