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Molecule
2,2′-[(Phenylmethyl)Imino]Bis[Ethanol]
CAS: 101-32-6 · C11H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-32-6
- Molecular Formula
- C11H17NO2
- Molecular Mass
- 195.26 g/mol
Identifiers
CAS Registry Number
101-32-6
SMILES
OCCN(CCO)Cc1ccccc1
InChI Key
MIZIOHLLYXVEHJ-UHFFFAOYSA-N
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
Names and Synonyms
- 2,2′-[(Phenylmethyl)Imino]Bis[Ethanol] Synonym
- Ethanol, 2,2′-[(phenylmethyl)imino]bis- Synonym
- Ethanol, 2,2′-(benzylimino)di- Synonym
- 2,2′-[(Phenylmethyl)imino]bis[ethanol] Synonym
- N,N-Bis(2-hydroxyethyl)benzylamine Synonym
- N-Benzyldiethanolamine Synonym
- Benzyldiethanolamine Synonym
- N-Benzyl-N,N-bis(2-hydroxyethyl)amine Synonym
- 2,2′-(Benzylimino)diethanol Synonym
- Benzylbis(2-hydroxyethyl)amine Synonym
- NSC 60297 Synonym
- 2-[Benzyl(2-hydroxyethyl)amino]ethanol Synonym
- N-Benzylbis(2-hydroxyethyl)amine Synonym
- N-Benzyl-N,N-di(2-hydroxyethyl)amine Synonym
- 2-[Benzyl(2-hydroxyethyl)amino]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.26 g/mol | CAS Common Chemistry |
| 195.26200000000003 g/mol | RDKit | |
| 195.262 g/mol | RDKit | |
| 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 |
| 43.47 Ų | chempirical lib | |
| LogP | 0.4731999999999997 | RDKit |
| 0.4732 | RDKit | |
| Molar Refractivity | 55.89060000000005 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 |
| Boiling Point | 176-177 °C @ 6 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 195.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H17NO2.
