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Molecule
Ractopamine Hydrochloride
CAS: 90274-24-1 · C18H24ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90274-24-1
- Molecular Formula
- C18H24ClNO3
- Molecular Mass
- 337.85 g/mol
Identifiers
CAS Registry Number
90274-24-1
SMILES
CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl
InChI Key
JHGSLSLUFMZUMK-UHFFFAOYSA-N
InChI
InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H
Names and Synonyms
- Ractopamine Hydrochloride Common Name
- Benzenemethanol, 4-hydroxy-α-[[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]-, hydrochloride (1:1) Synonym
- Benzenemethanol, 4-hydroxy-α-[[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]-, hydrochloride Synonym
- Ractopamine hydrochloride Synonym
- LY 031537 Synonym
- EL 737 Synonym
- Paylean Synonym
- LY O31537 Synonym
- Optaflexx Synonym
- Topmax 9 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.85 g/mol | CAS Common Chemistry |
| 337.84700000000004 g/mol | RDKit | |
| 337.847 g/mol | RDKit | |
| 337.844 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1=CC=C(C=C1)CCC(NCC(O)C2=CC=C(O)C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=JHGSLSLUFMZUMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124-129 °C | CAS Common Chemistry |
| Name | Ractopamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 72.72 Ų | RDKit |
| LogP | 3.163900000000002 | RDKit |
| 3.1639 | RDKit | |
| Molar Refractivity | 94.20710000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 337.144471308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 337.85 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H24ClNO3.
