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Molecule
2-[Bis(Phenylmethyl)Amino]Ethanol
CAS: 101-06-4 · C16H19NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-06-4
- Molecular Formula
- C16H19NO
- Molecular Mass
- 241.33 g/mol
Identifiers
CAS Registry Number
101-06-4
SMILES
OCCN(Cc1ccccc1)Cc1ccccc1
InChI Key
WTTWSMJHJFNCQB-UHFFFAOYSA-N
InChI
InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2
Names and Synonyms
- 2-[Bis(Phenylmethyl)Amino]Ethanol Systematic Name
- Ethanol, 2-[bis(phenylmethyl)amino]- Synonym
- Ethanol, 2-(dibenzylamino)- Synonym
- 2-[Bis(phenylmethyl)amino]ethanol Synonym
- N,N-Dibenzylethanolamine Synonym
- D Ol Synonym
- 2-(Dibenzylamino)ethanol Synonym
- N,N-Dibenzyl-β-aminoethanol Synonym
- β-(N,N-Dibenzylamino)ethanol Synonym
- N,N-Dibenzyl-2-aminoethanol Synonym
- Dibenzylaminoethanol Synonym
- N,N-Dibenzylaminoethanol Synonym
- 2-(Dibenzylamino)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.33 g/mol | CAS Common Chemistry |
| 241.334 g/mol | RDKit | |
| Canonical SMILES | OCCN(CC=1C=CC=CC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WTTWSMJHJFNCQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46-47 °C | CAS Common Chemistry |
| Name | 2-[Bis(phenylmethyl)amino]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 2.6811000000000007 | RDKit |
| 2.6811 | RDKit | |
| Molar Refractivity | 74.08380000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 241.146664228 g/mol | RDKit |
| Boiling Point | 170-175 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 241.33 g/mol. Edit any field — others recompute live.
