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Molecule
Nako TEG
CAS: 591-27-5 · C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 591-27-5
- Molecular Formula
- C6H7NO
- Molecular Mass
- 109.13 g/mol
Identifiers
CAS Registry Number
591-27-5
SMILES
Nc1cccc(O)c1
InChI Key
CWLKGDAVCFYWJK-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
Names and Synonyms
- Nako TEG Synonym
- 3-Aminophenol Synonym
- Phenol, 3-amino- Synonym
- C.I. Oxidation Base 7 Synonym
- Fouramine EG Synonym
- Fourrine 65 Synonym
- Fourrine EG Synonym
- Furro EG Synonym
- Futramine EG Synonym
- Pelagol EG Synonym
- Renal EG Synonym
- Tertral EG Synonym
- Ursol EG Synonym
- Zoba EG Synonym
- m-Hydroxyaniline Synonym
- 1-Amino-3-hydroxybenzene Synonym
- m-Hydroxyphenylamine Synonym
- 3-Hydroxyaniline Synonym
- m-Hydroxyaminobenzene Synonym
- 3-Hydroxybenzenamine Synonym
- m-Hydroxyaniline Synonym
- Rodol EG Synonym
- (3-Hydroxyphenyl)amine Synonym
- NSC 1546 Synonym
- Phenol, m-amino- Synonym
- 3-Aminophenol Synonym
- C.I. 76545 Synonym
- m-Aminophenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.13 g/mol | CAS Common Chemistry |
| 109.12799999999999 g/mol | RDKit | |
| 109.128 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.195 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Aminophenol | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CWLKGDAVCFYWJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 122-123 °C | CAS Common Chemistry |
| Name | 3-Aminophenol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.9743999999999999 | RDKit |
| 0.9744 | RDKit | |
| Molar Refractivity | 32.5192 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 109.052763844 g/mol | RDKit |
| Boiling Point | 164 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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Quick conversion
MW = 109.13 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO.
