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Molecule
(±)-Isoproterenol Hydrochloride
CAS: 51-30-9 · C11H18ClNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51-30-9
- Molecular Formula
- C11H18ClNO3
- Molecular Mass
- 247.72 g/mol
Identifiers
CAS Registry Number
51-30-9
SMILES
CC(C)NCC(O)c1ccc(O)c(O)c1.Cl
InChI Key
IROWCYIEJAOFOW-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H
Names and Synonyms
- (±)-Isoproterenol Hydrochloride Synonym
- 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1) Synonym
- Benzyl alcohol, 3,4-dihydroxy-α-[(isopropylamino)methyl]-, hydrochloride Synonym
- 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride Synonym
- Protocatechuyl alcohol, α-(isopropylaminomethyl)-, hydrochloride Synonym
- α-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride Synonym
- 3,4-Dihydroxy-α-(isopropylaminomethyl)benzyl alcohol hydrochloride Synonym
- Isoprenaline hydrochloride Synonym
- Isoproterenol hydrochloride Synonym
- Isuprel Synonym
- Isopropylarterenol hydrochloride Synonym
- Euspiran Synonym
- Isadrine Synonym
- Isoprenaline chloride Synonym
- Saventrine Synonym
- Proternol Synonym
- 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride Synonym
- (±)-Isoprenaline hydrochloride Synonym
- dl-Isopropylnoradrenaline hydrochloride Synonym
- (±)-Isopropylnoradrenaline hydrochloride Synonym
- dl-Isopropylnorepinephrine hydrochloride Synonym
- dl-Isoproterenol hydrochloride Synonym
- (±)-Isoproterenol hydrochloride Synonym
- dl-Isoprenaline hydrochloride Synonym
- dl-Isadrine hydrochloride Synonym
- DL-Isoproterenol hydrochloride Synonym
- DL-Isoprenaline hydrochloride Synonym
- Asthpul Synonym
- Vapo-Iso Synonym
- Suscardia Synonym
- Mistarel Synonym
- Isomenyl Synonym
- Aerolone Synonym
- Aerotrol Synonym
- Isovon Synonym
- NSC 37745 Synonym
- NSC 89747 Synonym
- Isoprel Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.72 g/mol | CAS Common Chemistry |
| 247.722 g/mol | RDKit | |
| 247.719 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1=CC=C(C=C1O)C(O)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=IROWCYIEJAOFOW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-172 °C (decomp) | CAS Common Chemistry |
| Name | (±)-Isoproterenol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.72 Ų | RDKit |
| LogP | 1.5510000000000004 | RDKit |
| 1.551 | RDKit | |
| Molar Refractivity | 65.11810000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 247.097521116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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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.
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MW = 247.72 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H18ClNO3.
