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Etilefrine Hydrochloride
CAS: 943-17-9 | C10H16ClNO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
943-17-9
Molecular Formula:
C10H16ClNO2
Molecular Mass:
217.70 g/mol
Names and Synonyms:
Etilefrine Hydrochloride
Benzenemethanol, α-[(ethylamino)methyl]-3-hydroxy-, hydrochloride (1:1)
Benzyl alcohol, α-[(ethylamino)methyl]-m-hydroxy-, hydrochloride
Benzenemethanol, α-[(ethylamino)methyl]-3-hydroxy-, hydrochloride
α-[(Ethylamino)methyl]-m-hydroxybenzyl alcohol hydrochloride
1-(3-Hydroxyphenyl)-2-ethylaminoethanol hydrochloride
Etilefrine hydrochloride
Funasol
dl-Effortil hydrochloride
(±)-N-Ethylnorphenylephrine hydrochloride
dl-N-Ethylnorphenylephrine hydrochloride
dl-1-(3-Hydroxyphenyl)-1-hydroxy-2-ethylaminoethane hydrochloride
dl-1-(3-Hydroxyphenyl)-2-ethylaminoethanol hydrochloride
dl-Ethylphenylephrine hydrochloride
(±)-Ethylphenylephrine hydrochloride
Ethyl adrianol
Effontil
Effortil
Updormin
Phetanol
Ethylephrine hydrochloride
Tonus-Forte
Apocretin
Eti-Puren
Kertasin
dl-Etilefrin hydrochloride
Circupon
Effortilvet
Pulsamin
Identifiers:
SMILES:
CCNCC(O)c1cccc(O)c1.Cl
InChI:
InChI=1S/C10H15NO2.ClH/c1-2-11-7-10(13)8-4-3-5-9(12)6-8;/h3-6,10-13H,2,7H2,1H3;1H
Key Properties
Melting Point
121 °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 | 217.70 g/mol | CAS Common Chemistry |
| 217.696 g/mol | RDKit | |
| 217.086956432 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1=CC=CC(=C1)C(O)CNCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO2.ClH/c1-2-11-7-10(13)8-4-3-5-9(12)6-8;/h3-6,10-13H,2,7H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KTNROWWHOBZQGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121 °C | CAS Common Chemistry |
| Name | Etilefrine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.489999999999995 Ų | RDKit |
| LogP | 1.4568999999999999 | RDKit |
| Molar Refractivity | 58.858300000000035 | RDKit |
