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2-[Bis(Phenylmethyl)Amino]Ethanol
CAS: 101-06-4 | C16H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-06-4
Molecular Formula:
C16H19NO
Molecular Mass:
241.33 g/mol
Names and Synonyms:
2-[Bis(Phenylmethyl)Amino]Ethanol
Ethanol, 2-[bis(phenylmethyl)amino]-
Ethanol, 2-(dibenzylamino)-
2-[Bis(phenylmethyl)amino]ethanol
N,N-Dibenzylethanolamine
D Ol
2-(Dibenzylamino)ethanol
N,N-Dibenzyl-β-aminoethanol
β-(N,N-Dibenzylamino)ethanol
N,N-Dibenzyl-2-aminoethanol
Dibenzylaminoethanol
N,N-Dibenzylaminoethanol
2-(Dibenzylamino)ethan-1-ol
Identifiers:
SMILES:
OCCN(Cc1ccccc1)Cc1ccccc1
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
Key Properties
Boiling Point
170-175 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
46-47 °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 | 241.33 g/mol | CAS Common Chemistry |
| 241.334 g/mol | RDKit | |
| 241.146664228 g/mol | RDKit | |
| Boiling Point | 170-175 °C @ Press: 3 Torr | CAS Common Chemistry |
| 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 |
| LogP | 2.6811000000000007 | RDKit |
| Molar Refractivity | 74.08380000000005 | RDKit |
