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Molecule
(-)-Isoproterenol Hydrochloride
CAS: 5984-95-2 · C11H18ClNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5984-95-2
- Molecular Formula
- C11H18ClNO3
- Molecular Mass
- 247.72 g/mol
Identifiers
CAS Registry Number
5984-95-2
SMILES
CC(C)NC[C@H](O)c1ccc(O)c(O)c1.Cl
InChI Key
IROWCYIEJAOFOW-MERQFXBCSA-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/t11-;/m0./s1
Names and Synonyms
- (-)-Isoproterenol Hydrochloride Synonym
- 1,2-Benzenediol, 4-[(1R)-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, (R)- Synonym
- 1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride Synonym
- (-)-Isoprenaline hydrochloride Synonym
- (-)-Isopropyl arterenol hydrochloride Synonym
- l-Isoproterenol hydrochloride Synonym
- (-)-Isoproterenol hydrochloride Synonym
- l-Isoprenaline hydrochloride Synonym
- N-Isopropylnoradrenaline hydrochloride Synonym
- l-Isoprenaline chloride Synonym
- (R)-Isoproterenol hydrochloride Synonym
- (R)-Isoprenaline hydrochloride 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/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 |
| 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...
10 ppm
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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.
External Resources
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MW = 247.72 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H18ClNO3.
