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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 Mass:
109.13 g/mol
Names and Synonyms:
Phenylhydroxylamine
Benzenamine, N-hydroxy-
Hydroxylamine, N-phenyl-
Hydroxylamine, β-phenyl-
N-Hydroxybenzenamine
N-Phenylhydroxylamine
β-Phenylhydroxylamine
Phenylhydroxylamine
Phenylhydroxyamine
N-Hydroxyaniline
Hydroxyaminobenzene
NSC 223099
Identifiers:
SMILES:
ONc1ccccc1
InChI:
InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
Key Properties
Melting Point
82 °C
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 | 109.13 g/mol | CAS Common Chemistry |
| 109.12799999999997 g/mol | RDKit | |
| 109.052763844 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylhydroxylamine | CAS Common Chemistry |
| Canonical SMILES | ONC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H | CAS Common Chemistry |
| InChI Key | InChIKey=CKRZKMFTZCFYGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82 °C | CAS Common Chemistry |
| Name | N-Phenylhydroxylamine | CAS Common Chemistry |
| Phenylhydroxylamine | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.4876999999999998 | RDKit |
| Molar Refractivity | 31.8512 | RDKit |
