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2,6-Bis[(2-Hydroxyethyl)Amino]Toluene
CAS: 149330-25-6 | C11H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
149330-25-6
Molecular Formula:
C11H18N2O2
Molecular Mass:
210.28 g/mol
Names and Synonyms:
2,6-Bis[(2-Hydroxyethyl)Amino]Toluene
Ethanol, 2,2′-[(2-methyl-1,3-phenylene)diimino]bis-
2,2′-[(2-Methyl-1,3-phenylene)diimino]bis[ethanol]
2,6-Bis[(2-hydroxyethyl)amino]toluene
HC Purple BS
2,6-Bis(2′-hydroxyethylamino)-1-methylbenzene
2-([3-[(2-Hydroxyethyl)amino]-2-methylphenyl]amino)ethanol
2,6-Bis(β-hydroxyethylamino)toluene
2,2′-((2-Methyl-1,3-phenylene)bis(azanediyl))diethanol
2-[3-(2-Hydroxyethylamino)-2-methylanilino]ethanol
Identifiers:
SMILES:
Cc1c(NCCO)cccc1NCCO
InChI:
InChI=1S/C11H18N2O2/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15/h2-4,12-15H,5-8H2,1H3
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 |
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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 | 210.28 g/mol | CAS Common Chemistry |
| 210.277 g/mol | RDKit | |
| 210.136827816 g/mol | RDKit | |
| Canonical SMILES | OCCNC1=CC=CC(NCCO)=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C11H18N2O2/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15/h2-4,12-15H,5-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FGYCMSFOZIRDLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,6-Bis[(2-hydroxyethyl)amino]toluene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.52 Ų | RDKit |
| LogP | 0.8034199999999998 | RDKit |
| Molar Refractivity | 62.330000000000034 | RDKit |
