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N-(2-Hydroxyethyl)Aniline
CAS: 122-98-5 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-98-5
Molecular Formula:
C8H11NO
Molecular Mass:
137.18 g/mol
Names and Synonyms:
N-(2-Hydroxyethyl)Aniline
Ethanol, 2-(phenylamino)-
Ethanol, 2-anilino-
2-(Phenylamino)ethanol
N-(β-Hydroxyethyl)aniline
N-(2-Hydroxyethyl)phenylamine
N-Phenylethanolamine
Benzenamine, N-(2-hydroxyethyl)-
2-Anilinoethanol
N-(2-Hydroxyethyl)aniline
β-Anilinoethanol
N-Ethanolaniline
N-(2-Hydroxyethyl)benzenamine
N-Phenyl-2-aminoethanol
NSC 8393
N-Anilinoethanol
2-(Phenylamino)ethan-1-ol
Identifiers:
SMILES:
OCCNc1ccccc1
InChI:
InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
Key Properties
Boiling Point
279.5 °C
CAS Common Chemistry
Melting Point
11 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 |
| 137.182 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.101 g/cm3 @ Temp: 24 °C | CAS Common Chemistry | |
| Boiling Point | 279.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCNC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MWGATWIBSKHFMR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 11 °C | CAS Common Chemistry |
| Name | N-(2-Hydroxyethyl)aniline | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.0908 | RDKit |
| Molar Refractivity | 42.01750000000002 | RDKit |
