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Molecule
4-Aminophenol
CAS: 123-30-8 · C6H7NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123-30-8
- Molecular Formula
- C6H7NO
- Molecular Mass
- 109.13 g/mol
Identifiers
CAS Registry Number
123-30-8
SMILES
Nc1ccc(O)cc1
InChI Key
PLIKAWJENQZMHA-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
Names and Synonyms
- 4-Aminophenol Synonym
- Phenol, 4-amino- Synonym
- Phenol, p-amino- Synonym
- 4-Aminophenol Synonym
- C.I. 76550 Synonym
- Activol Synonym
- p-Aminophenol Synonym
- Azol Synonym
- BASF Ursol P Base Synonym
- Benzofur P Synonym
- Certinal Synonym
- Citol Synonym
- C.I. Oxidation Base 6 Synonym
- Durafur Brown RB Synonym
- Fouramine P Synonym
- Fourrine 84 Synonym
- Fourrine P Base Synonym
- Furro P base Synonym
- p-Hydroxyaniline Synonym
- 4-Hydroxyaniline Synonym
- Nako Brown R Synonym
- Paranol Synonym
- Pelagol P Base Synonym
- Pelagol Grey P Base Synonym
- Renal AC Synonym
- Rodinal Synonym
- Tertral P Base Synonym
- Unal Synonym
- Ursol P Synonym
- Ursol P Base Synonym
- Zoba Brown P Base Synonym
- p-Hydroxyphenylamine Synonym
- 4-Amino-1-hydroxybenzene Synonym
- 1-Amino-4-hydroxybenzene Synonym
- 4-Hydroxybenzenamine Synonym
- 4-Hydroxyphenylamine Synonym
- 4-Hydroxy-1-aminobenzene Synonym
- NSC 1545 Synonym
- A 0384 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminophenol | CAS Common Chemistry |
| Boiling Point | 284 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PLIKAWJENQZMHA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189.6-190.2 °C | CAS Common Chemistry |
| Name | 4-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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 109.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO.
