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Molecule
N,N-Bis(2-Hydroxyethyl)-P-Toluidine
CAS: 3077-12-1 · C11H17NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3077-12-1
- Molecular Formula
- C11H17NO2
- Molecular Mass
- 195.26 g/mol
Identifiers
CAS Registry Number
3077-12-1
SMILES
Cc1ccc(N(CCO)CCO)cc1
InChI Key
JUVSRZCUMWZBFK-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
Names and Synonyms
- N,N-Bis(2-Hydroxyethyl)-P-Toluidine Synonym
- Ethanol, 2,2′-[(4-methylphenyl)imino]bis- Synonym
- Ethanol, 2,2′-(p-tolylimino)di- Synonym
- 2,2′-[(4-Methylphenyl)imino]bis[ethanol] Synonym
- Diethylol-p-toluidine Synonym
- N,N-Bis(2-hydroxyethyl)-p-toluidine Synonym
- N-(4-Methylphenyl)diethanolamine Synonym
- N,N-Diethanol-p-toluidine Synonym
- 2,2′-(p-Tolylimino)diethanol Synonym
- N-(p-Methylphenyl)-N,N-diethanolamine Synonym
- N,N-Diethanol-p-methylphenylamine Synonym
- N,N-Bis(2-hydroxyethyl)-4-methylaniline Synonym
- N,N-Bis(β-hydroxyethyl)-p-toluidine Synonym
- N-(p-Methylphenyl)diethanolamine Synonym
- N-p-Tolyldiethanolamine Synonym
- DEPT Synonym
- Plexilith 492 Synonym
- N,N-Di(β-hydroxyethyl)-p-toluidine Synonym
- N,N-Bis(2-hydroxyethyl)-p-toludine Synonym
- NSC 103354 Synonym
- N,N-Bis(2-hydroxyethyl)-4-toluidine Synonym
- PT 2HE Synonym
- N,N-Di(2-hydroxyethyl)-p-toluidine Synonym
- N,N-Di(2-hydroxyethyl)-4-toluidine Synonym
- N,N-Di(2-hydroxyethyl)-p-methylaniline Synonym
- p-Tolyldiethanolamine Synonym
- Pergaquick A 150 Synonym
- 2,2′-(4-Methylphenylimino)diethanol Synonym
- PTEO Synonym
- 2,2′-(p-Tolylazanediyl)diethanol Synonym
- 2-[N-(2-Hydroxyethyl)-4-methylanilino]ethanol Synonym
- 2-[(2-Hydroxyethyl)(4-methylphenyl)amino]ethan-1-ol Synonym
- Pergaquick PQ-A 150 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.26 g/mol | CAS Common Chemistry |
| 195.262 g/mol | RDKit | |
| Boiling Point | 339 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN(C1=CC=C(C=C1)C)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JUVSRZCUMWZBFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53-54 °C | CAS Common Chemistry |
| Name | N,N-Bis(2-hydroxyethyl)-p-toluidine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.7 Ų | RDKit |
| 43.47 Ų | chempirical lib | |
| LogP | 0.7860199999999999 | RDKit |
| 0.786 | RDKit | |
| Molar Refractivity | 57.563600000000044 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 195.125928784 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 195.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H17NO2.
