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(±)-Isoproterenol Hydrochloride
CAS: 949-36-0 | C11H18ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
949-36-0
Molecular Formula:
C11H18ClNO3
Molecular Mass:
247.72 g/mol
Names and Synonyms:
(±)-Isoproterenol Hydrochloride
1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)
Suscardia
Mistarel
Isomenyl
Aerolone
Aerotrol
Isovon
NSC 37745
NSC 89747
Isoprel
Benzyl alcohol, 3,4-dihydroxy-α-[(isopropylamino)methyl]-, hydrochloride
1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride
Protocatechuyl alcohol, α-(isopropylaminomethyl)-, hydrochloride
α-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride
3,4-Dihydroxy-α-(isopropylaminomethyl)benzyl alcohol hydrochloride
Isoprenaline hydrochloride
Isoproterenol hydrochloride
Isuprel
Isopropylarterenol hydrochloride
Euspiran
Isadrine
Isoprenaline chloride
Saventrine
Proternol
1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride
(±)-Isoprenaline hydrochloride
dl-Isopropylnoradrenaline hydrochloride
Vapo-Iso
(±)-Isopropylnoradrenaline hydrochloride
dl-Isopropylnorepinephrine hydrochloride
dl-Isoproterenol hydrochloride
(±)-Isoproterenol hydrochloride
dl-Isoprenaline hydrochloride
dl-Isadrine hydrochloride
DL-Isoproterenol hydrochloride
DL-Isoprenaline hydrochloride
Asthpul
Identifiers:
SMILES:
CC(C)NCC(O)c1ccc(O)c(O)c1.Cl
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
Key Properties
Melting Point
170-172 °C (decomp)
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 | 247.72 g/mol | CAS Common Chemistry |
| 247.722 g/mol | RDKit | |
| 247.097521116 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 65.11810000000004 | RDKit |
