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2-Aminoethoxydiphenyl Borate
CAS: 524-95-8 | C14H16BNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
524-95-8
Molecular Formula:
C14H16BNO
Molecular Mass:
225.10 g/mol
Names and Synonyms:
2-Aminoethoxydiphenyl Borate
Borinic acid, B,B-diphenyl-, 2-aminoethyl ester
Borinic acid, diphenyl-, 2-aminoethyl ester
Ethanol, 2-amino-, diphenylborinate (ester)
B-(2-Aminoethoxy)diphenylborane
2-Aminoethoxydiphenylborane
(2-Aminoethyloxy)diphenylborane
2-Aminoethyl diphenylborinate
Naturstoffreagenz A
NSC 17107
2-APB
2-Aminoethoxydiphenyl borate
2-Diphenylboranyloxyethanamine
Identifiers:
SMILES:
NCCOB(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
Key Properties
Melting Point
188-190 °C (decomp)
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 | 225.10 g/mol | CAS Common Chemistry |
| 225.1 g/mol | RDKit | |
| 225.132494532 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminoethoxydiphenyl_borate | CAS Common Chemistry |
| Canonical SMILES | O(B(C=1C=CC=CC1)C=2C=CC=CC2)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BLZVCIGGICSWIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188-190 °C (decomp) | CAS Common Chemistry |
| Name | 2-Aminoethoxydiphenyl borate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 0.7675999999999994 | RDKit |
| Molar Refractivity | 72.91240000000003 | RDKit |
