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(-)-Isoproterenol Hydrochloride
CAS: 5984-95-2 | C11H18ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5984-95-2
Molecular Formula:
C11H18ClNO3
Molecular Mass:
247.72 g/mol
Names and Synonyms:
(-)-Isoproterenol Hydrochloride
1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)
Benzyl alcohol, 3,4-dihydroxy-α-[(isopropylamino)methyl]-, hydrochloride, (-)-
1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride, (R)-
1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride
(-)-Isoprenaline hydrochloride
(-)-Isopropyl arterenol hydrochloride
l-Isoproterenol hydrochloride
(-)-Isoproterenol hydrochloride
l-Isoprenaline hydrochloride
N-Isopropylnoradrenaline hydrochloride
l-Isoprenaline chloride
(R)-Isoproterenol hydrochloride
(R)-Isoprenaline hydrochloride
Identifiers:
SMILES:
CC(C)NC[C@H](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/t11-;/m0./s1
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/t11-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IROWCYIEJAOFOW-MERQFXBCSA-N | 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 |
