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2,2′-[(Phenylmethyl)Imino]Bis[Ethanol]
CAS: 101-32-6 | C11H17NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
101-32-6
Molecular Formula:
C11H17NO2
Molecular Mass:
195.26 g/mol
Names and Synonyms:
2,2′-[(Phenylmethyl)Imino]Bis[Ethanol]
Ethanol, 2,2′-[(phenylmethyl)imino]bis-
Ethanol, 2,2′-(benzylimino)di-
2,2′-[(Phenylmethyl)imino]bis[ethanol]
N,N-Bis(2-hydroxyethyl)benzylamine
N-Benzyldiethanolamine
Benzyldiethanolamine
N-Benzyl-N,N-bis(2-hydroxyethyl)amine
2,2′-(Benzylimino)diethanol
Benzylbis(2-hydroxyethyl)amine
NSC 60297
2-[Benzyl(2-hydroxyethyl)amino]ethanol
N-Benzylbis(2-hydroxyethyl)amine
N-Benzyl-N,N-di(2-hydroxyethyl)amine
2-[Benzyl(2-hydroxyethyl)amino]ethan-1-ol
Identifiers:
SMILES:
OCCN(CCO)Cc1ccccc1
InChI:
InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
Key Properties
Boiling Point
176-177 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
196.5 °C @ Solvent: Benzene
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 | 195.26 g/mol | CAS Common Chemistry |
| 195.26200000000003 g/mol | RDKit | |
| 195.125928784 g/mol | RDKit | |
| Boiling Point | 176-177 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN(CC=1C=CC=CC1)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MIZIOHLLYXVEHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196.5 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2,2′-[(Phenylmethyl)imino]bis[ethanol] | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.7 Ų | RDKit |
| LogP | 0.4731999999999997 | RDKit |
| Molar Refractivity | 55.89060000000005 | RDKit |
