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Ethanamine, 2-(2-Methoxyphenoxy)-, Hydrochloride (1:1)
CAS: 64464-07-9 | C9H14ClNO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
64464-07-9
Molecular Formula:
C9H14ClNO2
Molecular Mass:
203.67 g/mol
Names and Synonyms:
Ethanamine, 2-(2-Methoxyphenoxy)-, Hydrochloride (1:1)
Ethanamine, 2-(2-methoxyphenoxy)-, hydrochloride (1:1)
Ethanamine, 2-(2-methoxyphenoxy)-, hydrochloride
Ethylamine, 2-(o-methoxyphenoxy)-, hydrochloride
2-(2-Methoxyphenoxy)ethylamine hydrochloride
2-(2-Methoxyphenoxy)ethan-1-amine hydrochloride
Identifiers:
SMILES:
COc1ccccc1OCCN.Cl
InChI:
InChI=1S/C9H13NO2.ClH/c1-11-8-4-2-3-5-9(8)12-7-6-10;/h2-5H,6-7,10H2,1H3;1H
Key Properties
Melting Point
116-117 °C @ Solvent: Ethanol, Diethyl ether
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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 | 203.67 g/mol | CAS Common Chemistry |
| 203.66899999999995 g/mol | RDKit | |
| 203.071306368 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C=1C=CC=CC1OCCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO2.ClH/c1-11-8-4-2-3-5-9(8)12-7-6-10;/h2-5H,6-7,10H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KNWPXZOMSZABHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116-117 °C @ Solvent: Ethanol, Diethyl ether | CAS Common Chemistry |
| Name | Ethanamine, 2-(2-methoxyphenoxy)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 1.4545 | RDKit |
| Molar Refractivity | 54.791400000000024 | RDKit |
