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3-(Dimethylamino)Phenol
CAS: 99-07-0 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-07-0
Molecular Formula:
C8H11NO
Molecular Mass:
137.18 g/mol
Names and Synonyms:
3-(Dimethylamino)Phenol
Phenol, 3-(dimethylamino)-
Phenol, m-(dimethylamino)-
3-(Dimethylamino)phenol
N,N-Dimethyl-m-aminophenol
m-(Dimethylamino)phenol
(3-Hydroxyphenyl)dimethylamine
3-Hydroxy-N,N-dimethylaniline
m-(N,N-Dimethylamino)phenol
3-N,N-Dimethylaminophenol
NSC 62017
N,N-Dimethyl-3-aminophenol
Identifiers:
SMILES:
CN(C)c1cccc(O)c1
InChI:
InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
Key Properties
Boiling Point
266.5 °C
CAS Common Chemistry
Melting Point
86 °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 | 137.18 g/mol | CAS Common Chemistry |
| 137.18199999999996 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Boiling Point | 266.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MESJRHHDBDCQTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86 °C | CAS Common Chemistry |
| Name | 3-(Dimethylamino)phenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 1.4582 | RDKit |
| Molar Refractivity | 42.43380000000002 | RDKit |
