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2-(Methylphenylamino)Ethanol
CAS: 93-90-3 | C9H13NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
93-90-3
Molecular Formula:
C9H13NO
Molecular Mass:
151.21 g/mol
Names and Synonyms:
2-(Methylphenylamino)Ethanol
Ethanol, 2-(methylphenylamino)-
Ethanol, 2-(N-methylanilino)-
2-(Methylphenylamino)ethanol
2-(N-Methylanilino)ethanol
N-Methyl-N-phenyl-2-aminoethanol
2-(N-Methyl-N-phenylamino)ethanol
N-Methyl-N-(2-hydroxyethyl)aniline
N-(2-Hydroxyethyl)-N-methylaniline
N-Methyl-N-phenylethanolamine
NSC 9274
N-Phenyl-N-methyl-ethanolamine
N-Hydroxyethyl-N-methylaniline
N-Methyl-N-phenyl-2-hydroxyethylamine
N-Methyl-N-hydroethyl aniline
2-[Methyl(phenyl)amino]ethan-1-ol
Identifiers:
SMILES:
CN(CCO)c1ccccc1
InChI:
InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
Key Properties
Boiling Point
128 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
77 °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 | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Boiling Point | 128 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VIIZJXNVVJKISZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77 °C | CAS Common Chemistry |
| Name | 2-(Methylphenylamino)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 |
| LogP | 1.1151 | RDKit |
| Molar Refractivity | 46.79780000000003 | RDKit |
