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Isoproterenol
CAS: 7683-59-2 | C11H17NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7683-59-2
- Molecular Formula
- C11H17NO3
- Molecular Mass
- 211.26 g/mol
Identifiers
CAS Registry Number
7683-59-2
SMILES
CC(C)NCC(O)c1ccc(O)c(O)c1
InChI Key
JWZZKOKVBUJMES-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
Names and Synonyms
- Isoproterenol Synonym
- N-Isopropylnoradrenaline Synonym
- Aludrin Synonym
- Norisodrine Synonym
- Asiprenol Synonym
- Asmalar Synonym
- Lomupren Synonym
- Isopropydrin Synonym
- Assiprenol Synonym
- Respifral Synonym
- Bellasthman Synonym
- 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol Synonym
- Isoprenalin Synonym
- ICI 46399 Synonym
- (±)-Isoproterenol Synonym
- (±)-Isoprenaline Synonym
- dl-Isoprenaline Synonym
- Racemic isoprenaline Synonym
- dl-Isopropylnoradrenaline Synonym
- dl-N-Isopropylnoradrenaline Synonym
- DL-Isopropylnorepinephrine Synonym
- dl-Isadrine Synonym
- Racemic isoproterenol Synonym
- DL(±)-Isoproterenol Synonym
- DL-Isoproterenol Synonym
- dl-Isoproterenol Synonym
- Isorenin Synonym
- Isupren Synonym
- Epinephrine isopropyl homolog Synonym
- Vapo-N-Iso Synonym
- Neo-Epinine Synonym
- Neodrenal Synonym
- Isonorin Synonym
- A 21 Synonym
- NSC 33791 Synonym
- NSC 9975 Synonym
- 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- Synonym
- Benzyl alcohol, 3,4-dihydroxy-α-[(isopropylamino)methyl]- Synonym
- 4-[1-Hydroxy-2-[(1-methylethyl)amino]ethyl]-1,2-benzenediol Synonym
- Isoproterenol Synonym
- Isoprenaline Synonym
- Isopropylarterenol Synonym
- Isopropylnoradrenaline Synonym
- Isopropylnorepinephrine Synonym
- N-Isopropylnorepinephrine Synonym
- Aludrine Synonym
- 3,4-Dihydroxy-α-[(isopropylamino)methyl]benzyl alcohol Synonym
- α-(Isopropylaminomoethyl)protocatechuyl alcohol Synonym
- Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol Synonym
- N-Isopropyl-β-dihydroxyphenyl-β-hydroxyethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.26 g/mol | CAS Common Chemistry |
| 211.261 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.32 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OC1=CC=C(C=C1O)C(O)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JWZZKOKVBUJMES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170.5 °C | CAS Common Chemistry |
| Name | Isoproterenol | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 1.1291999999999998 | RDKit |
| 1.1292 | RDKit | |
| Molar Refractivity | 57.870100000000036 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 211.120843404 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
Related
Related molecules
Other compounds with formula C11H17NO3.
