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N-Methyl-N-(2-Hydroxyethyl)-P-Toluidine
CAS: 2842-44-6 | C10H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2842-44-6
Molecular Formula:
C10H15NO
Molecular Mass:
165.24 g/mol
Names and Synonyms:
N-Methyl-N-(2-Hydroxyethyl)-P-Toluidine
Ethanol, 2-[methyl(4-methylphenyl)amino]-
Ethanol, 2-(N-methyl-p-toluidino)-
2-[Methyl(4-methylphenyl)amino]ethanol
2-(N-Methyl-N-4-tolylamino)ethanol
N-(2-Hydroxyethyl)-N-methyl-p-toluidine
FirstCure MHPT
N-Methyl-N-(2-hydroxyethyl)-p-toluidine
2-[Methyl(4-methylphenyl)amino]ethan-1-ol
2-(Methyl-p-tolylamino)ethanol
2-(N,4-Dimethylanilino)ethanol
2-(Methyl(p-tolyl)amino)ethanol
Identifiers:
SMILES:
Cc1ccc(N(C)CCO)cc1
InChI:
InChI=1S/C10H15NO/c1-9-3-5-10(6-4-9)11(2)7-8-12/h3-6,12H,7-8H2,1-2H3
Key Properties
Boiling Point
152-154 °C @ Press: 10 Torr
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 | 165.24 g/mol | CAS Common Chemistry |
| 165.23600000000005 g/mol | RDKit | |
| 165.1153641 g/mol | RDKit | |
| Boiling Point | 152-154 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN(C1=CC=C(C=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c1-9-3-5-10(6-4-9)11(2)7-8-12/h3-6,12H,7-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HXCWOOAEAHVMBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-N-(2-hydroxyethyl)-p-toluidine | 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 |
| LogP | 1.42352 | RDKit |
| Molar Refractivity | 51.53480000000003 | RDKit |
