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2-Aminophenol
CAS: 95-55-6 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-55-6
Molecular Formula:
C6H7NO
Molecular Weight:
109.12799999999999 g/mol
Names and Synonyms:
2-Aminophenol
Phenol, 2-amino-
Phenol, o-amino-
2-Aminophenol
C.I. 76520
o-Aminophenol
BASF Ursol 3GA
Benzofur GG
C.I. Oxidation Base 17
Fouramine OP
Nako Yellow 3GA
Paradone Olive Green B
Pelagol 3GA
Pelagol Grey GG
Zoba 3GA
o-Hydroxyaniline
o-Hydroxyphenylamine
1-Amino-2-hydroxybenzene
1-Hydroxy-2-aminobenzene
2-Hydroxyaniline
2-Hydroxybenzenamine
o-Aminohydroxybenzene
Rodol 2G
NSC 1534
NSC 226261
(2-Hydroxyphenyl)amine
2-Amino-1-hydroxybenzene
2-Aminophenyl alcohol
Identifiers:
SMILES:
Nc1ccccc1O
InChI:
InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
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 | 109.12799999999999 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 | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9743999999999999 | RDKit |
| molecular_mass | 109.13 g/mol | Legacy Database |
| density | 1.33 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Aminophenol None | Legacy Database |
| cas-boiling-point | 100 °C @ Press: 1 x 10-3-3 x 10-3 Torr None | Legacy Database |
| cas-canonical-smile | OC=1C=CC=CC1N None | Legacy Database |
| cas-density | 1.328 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CDAWCLOXVUBKRW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 170-174 °C None | Legacy Database |
| cas-name | 2-Aminophenol None | Legacy Database |
| wikipedia-name | 2-Aminophenol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.5192 | RDKit |
