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Molecule
2-(Methylphenylamino)Ethanol
CAS: 93-90-3 · C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 93-90-3
- Molecular Formula
- C9H13NO
- Molecular Mass
- 151.21 g/mol
Identifiers
CAS Registry Number
93-90-3
SMILES
CN(CCO)c1ccccc1
InChI Key
VIIZJXNVVJKISZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
Names and Synonyms
- 2-(Methylphenylamino)Ethanol Synonym
- Ethanol, 2-(methylphenylamino)- Synonym
- Ethanol, 2-(N-methylanilino)- Synonym
- 2-(Methylphenylamino)ethanol Synonym
- 2-(N-Methylanilino)ethanol Synonym
- N-Methyl-N-phenyl-2-aminoethanol Synonym
- 2-(N-Methyl-N-phenylamino)ethanol Synonym
- N-Methyl-N-(2-hydroxyethyl)aniline Synonym
- N-(2-Hydroxyethyl)-N-methylaniline Synonym
- N-Methyl-N-phenylethanolamine Synonym
- NSC 9274 Synonym
- N-Phenyl-N-methyl-ethanolamine Synonym
- N-Hydroxyethyl-N-methylaniline Synonym
- N-Methyl-N-phenyl-2-hydroxyethylamine Synonym
- N-Methyl-N-hydroethyl aniline Synonym
- 2-[Methyl(phenyl)amino]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.209 g/mol | RDKit | |
| 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 1.1151 | RDKit |
| Molar Refractivity | 46.79780000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 151.099714036 g/mol | RDKit |
| Boiling Point | 128 °C @ 1 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 = 151.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13NO.
