Back to Search
Molecule
3-(Diethylamino)Phenol
CAS: 91-68-9 · C10H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 91-68-9
- Molecular Formula
- C10H15NO
- Molecular Mass
- 165.24 g/mol
Identifiers
CAS Registry Number
91-68-9
SMILES
CCN(CC)c1cccc(O)c1
InChI Key
WAVOOWVINKGEHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
Names and Synonyms
- 3-(Diethylamino)Phenol Synonym
- Phenol, 3-(diethylamino)- Synonym
- Phenol, m-(diethylamino)- Synonym
- 3-(Diethylamino)phenol Synonym
- m-(Diethylamino)phenol Synonym
- N,N-Diethyl-m-aminophenol Synonym
- 3-Hydroxy-N,N-diethylaniline Synonym
- N,N-Diethyl-3-hydroxyaniline Synonym
- N,N-Diethyl-3-aminophenol Synonym
- m-Hydroxy-N,N-diethylaniline Synonym
- NSC 93934 Synonym
- 3-(N,N-Diethylamino)phenol Synonym
- N,N-Diethyl-3-Hydroxybenzenamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.24 g/mol | CAS Common Chemistry |
| 165.236 g/mol | RDKit | |
| Boiling Point | 276 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WAVOOWVINKGEHS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78 °C | CAS Common Chemistry |
| Name | 3-(Diethylamino)phenol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 2.2384000000000004 | RDKit |
| 2.2384 | RDKit | |
| 2.18 | chempirical lib | |
| Molar Refractivity | 51.66780000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 165.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 165.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO.
