Back to Search
Molecule
Etilefrine Hydrochloride
CAS: 943-17-9 · C10H16ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 943-17-9
- Molecular Formula
- C10H16ClNO2
- Molecular Mass
- 217.70 g/mol
Identifiers
CAS Registry Number
943-17-9
SMILES
CCNCC(O)c1cccc(O)c1.Cl
InChI Key
KTNROWWHOBZQGK-UHFFFAOYSA-N
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
Names and Synonyms
- Etilefrine Hydrochloride Common Name
- Benzenemethanol, α-[(ethylamino)methyl]-3-hydroxy-, hydrochloride (1:1) Synonym
- Benzyl alcohol, α-[(ethylamino)methyl]-m-hydroxy-, hydrochloride Synonym
- Benzenemethanol, α-[(ethylamino)methyl]-3-hydroxy-, hydrochloride Synonym
- α-[(Ethylamino)methyl]-m-hydroxybenzyl alcohol hydrochloride Synonym
- 1-(3-Hydroxyphenyl)-2-ethylaminoethanol hydrochloride Synonym
- Etilefrine hydrochloride Synonym
- Funasol Synonym
- dl-Effortil hydrochloride Synonym
- (±)-N-Ethylnorphenylephrine hydrochloride Synonym
- dl-N-Ethylnorphenylephrine hydrochloride Synonym
- dl-1-(3-Hydroxyphenyl)-1-hydroxy-2-ethylaminoethane hydrochloride Synonym
- dl-1-(3-Hydroxyphenyl)-2-ethylaminoethanol hydrochloride Synonym
- dl-Ethylphenylephrine hydrochloride Synonym
- (±)-Ethylphenylephrine hydrochloride Synonym
- Ethyl adrianol Synonym
- Effontil Synonym
- Effortil Synonym
- Updormin Synonym
- Phetanol Synonym
- Ethylephrine hydrochloride Synonym
- Tonus-Forte Synonym
- Apocretin Synonym
- Eti-Puren Synonym
- Kertasin Synonym
- dl-Etilefrin hydrochloride Synonym
- Circupon Synonym
- Effortilvet Synonym
- Pulsamin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.70 g/mol | CAS Common Chemistry |
| 217.696 g/mol | RDKit | |
| 217.693 g/mol | chempirical lib | |
| 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 |
| 52.49 Ų | RDKit | |
| LogP | 1.4568999999999999 | RDKit |
| 1.4569 | RDKit | |
| Molar Refractivity | 58.858300000000035 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 217.086956432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 217.70 g/mol. Edit any field — others recompute live.
