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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
Names and Synonyms:
N,N-Bis(2-Hydroxyethyl)-P-Toluidine
Ethanol, 2,2′-[(4-methylphenyl)imino]bis-
Ethanol, 2,2′-(p-tolylimino)di-
2,2′-[(4-Methylphenyl)imino]bis[ethanol]
Diethylol-p-toluidine
N,N-Bis(2-hydroxyethyl)-p-toluidine
N-(4-Methylphenyl)diethanolamine
N,N-Diethanol-p-toluidine
2,2′-(p-Tolylimino)diethanol
N-(p-Methylphenyl)-N,N-diethanolamine
N,N-Diethanol-p-methylphenylamine
N,N-Bis(2-hydroxyethyl)-4-methylaniline
N,N-Bis(β-hydroxyethyl)-p-toluidine
N-(p-Methylphenyl)diethanolamine
N-p-Tolyldiethanolamine
DEPT
Plexilith 492
N,N-Di(β-hydroxyethyl)-p-toluidine
N,N-Bis(2-hydroxyethyl)-p-toludine
NSC 103354
N,N-Bis(2-hydroxyethyl)-4-toluidine
PT 2HE
N,N-Di(2-hydroxyethyl)-p-toluidine
N,N-Di(2-hydroxyethyl)-4-toluidine
N,N-Di(2-hydroxyethyl)-p-methylaniline
p-Tolyldiethanolamine
Pergaquick A 150
2,2′-(4-Methylphenylimino)diethanol
PTEO
2,2′-(p-Tolylazanediyl)diethanol
2-[N-(2-Hydroxyethyl)-4-methylanilino]ethanol
2-[(2-Hydroxyethyl)(4-methylphenyl)amino]ethan-1-ol
Pergaquick PQ-A 150
Identifiers:
SMILES:
Cc1ccc(N(CCO)CCO)cc1
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
Key Properties
Boiling Point
339 °C
CAS Common Chemistry
Melting Point
53-54 °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 | 195.26 g/mol | CAS Common Chemistry |
| 195.262 g/mol | RDKit | |
| 195.125928784 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 |
| LogP | 0.7860199999999999 | RDKit |
| Molar Refractivity | 57.563600000000044 | RDKit |
