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3-Aminophenol
CAS: 591-27-5 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
591-27-5
Molecular Formula:
C6H7NO
Molecular Weight:
109.12799999999999 g/mol
Names and Synonyms:
3-Aminophenol
Phenol, 3-amino-
C.I. Oxidation Base 7
Fouramine EG
Fourrine 65
Fourrine EG
Furro EG
Futramine EG
Nako TEG
Pelagol EG
Renal EG
Tertral EG
Ursol EG
Zoba EG
m-Hydroxyaniline
1-Amino-3-hydroxybenzene
m-Hydroxyphenylamine
3-Hydroxyaniline
m-Hydroxyaminobenzene
3-Hydroxybenzenamine
m-Hydroxyaniline
Rodol EG
(3-Hydroxyphenyl)amine
NSC 1546
Phenol, m-amino-
3-Aminophenol
C.I. 76545
m-Aminophenol
Identifiers:
SMILES:
Nc1cccc(O)c1
InChI:
InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 109.13 g/mol | Legacy Database |
| density | 1.20 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/3-Aminophenol None | Legacy Database |
| cas-boiling-point | 164 °C @ Press: 11 Torr None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC(N)=C1 None | Legacy Database |
| cas-density | 1.195 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CWLKGDAVCFYWJK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 122-123 °C None | Legacy Database |
| cas-name | 3-Aminophenol None | Legacy Database |
| wikipedia-name | 3-Aminophenol None | Legacy Database |
| LogP | 0.9743999999999999 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.5192 | RDKit |
