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Molecule
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
Identifiers
CAS Registry Number
64464-07-9
SMILES
COc1ccccc1OCCN.Cl
InChI Key
KNWPXZOMSZABHD-UHFFFAOYSA-N
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
Names and Synonyms
- Ethanamine, 2-(2-Methoxyphenoxy)-, Hydrochloride (1:1) Synonym
- Ethanamine, 2-(2-methoxyphenoxy)-, hydrochloride (1:1) Synonym
- Ethanamine, 2-(2-methoxyphenoxy)-, hydrochloride Synonym
- Ethylamine, 2-(o-methoxyphenoxy)-, hydrochloride Synonym
- 2-(2-Methoxyphenoxy)ethylamine hydrochloride Synonym
- 2-(2-Methoxyphenoxy)ethan-1-amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.67 g/mol | CAS Common Chemistry |
| 203.66899999999995 g/mol | RDKit | |
| 203.669 g/mol | RDKit | |
| 203.666 g/mol | chempirical lib | |
| 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 |
| 44.48 Ų | RDKit | |
| LogP | 1.4545 | RDKit |
| Molar Refractivity | 54.791400000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 203.071306368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
External Resources
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MW = 203.67 g/mol. Edit any field — others recompute live.
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