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4-Aminophenol
CAS: 123-30-8 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-30-8
Molecular Formula:
C6H7NO
Molecular Mass:
109.13 g/mol
Names and Synonyms:
4-Aminophenol
Phenol, 4-amino-
Phenol, p-amino-
4-Aminophenol
C.I. 76550
Activol
p-Aminophenol
Azol
BASF Ursol P Base
Benzofur P
Certinal
Citol
C.I. Oxidation Base 6
Durafur Brown RB
Fouramine P
Fourrine 84
Fourrine P Base
Furro P base
p-Hydroxyaniline
4-Hydroxyaniline
Nako Brown R
Paranol
Pelagol P Base
Pelagol Grey P Base
Renal AC
Rodinal
Tertral P Base
Unal
Ursol P
Ursol P Base
Zoba Brown P Base
p-Hydroxyphenylamine
4-Amino-1-hydroxybenzene
1-Amino-4-hydroxybenzene
4-Hydroxybenzenamine
4-Hydroxyphenylamine
4-Hydroxy-1-aminobenzene
NSC 1545
A 0384
Identifiers:
SMILES:
Nc1ccc(O)cc1
InChI:
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
Key Properties
Boiling Point
284 °C
CAS Common Chemistry
Melting Point
189.6-190.2 °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 |
| 109.12799999999999 g/mol | RDKit | |
| 109.052763844 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 |
| Molar Refractivity | 32.5192 | RDKit |
