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Molecule
N-Methyl-N-(2-Hydroxyethyl)-P-Toluidine
CAS: 2842-44-6 · C10H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2842-44-6
- Molecular Formula
- C10H15NO
- Molecular Mass
- 165.24 g/mol
Identifiers
CAS Registry Number
2842-44-6
SMILES
Cc1ccc(N(C)CCO)cc1
InChI Key
HXCWOOAEAHVMBJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO/c1-9-3-5-10(6-4-9)11(2)7-8-12/h3-6,12H,7-8H2,1-2H3
Names and Synonyms
- N-Methyl-N-(2-Hydroxyethyl)-P-Toluidine Common Name
- Ethanol, 2-[methyl(4-methylphenyl)amino]- Synonym
- Ethanol, 2-(N-methyl-p-toluidino)- Synonym
- 2-[Methyl(4-methylphenyl)amino]ethanol Synonym
- 2-(N-Methyl-N-4-tolylamino)ethanol Synonym
- N-(2-Hydroxyethyl)-N-methyl-p-toluidine Synonym
- FirstCure MHPT Synonym
- N-Methyl-N-(2-hydroxyethyl)-p-toluidine Synonym
- 2-[Methyl(4-methylphenyl)amino]ethan-1-ol Synonym
- 2-(Methyl-p-tolylamino)ethanol Synonym
- 2-(N,4-Dimethylanilino)ethanol Synonym
- 2-(Methyl(p-tolyl)amino)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.24 g/mol | CAS Common Chemistry |
| 165.23600000000005 g/mol | RDKit | |
| 165.236 g/mol | RDKit | |
| 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 1.42352 | RDKit |
| 1.4235 | RDKit | |
| Molar Refractivity | 51.53480000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 165.1153641 g/mol | RDKit |
| Boiling Point | 152-154 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 165.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO.
