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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 Weight:
211.261 g/mol
Names and Synonyms:
Isoproterenol
N-Isopropylnoradrenaline
Aludrin
Norisodrine
Asiprenol
Asmalar
Lomupren
Isopropydrin
Assiprenol
Respifral
Bellasthman
1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol
Isoprenalin
ICI 46399
(±)-Isoproterenol
(±)-Isoprenaline
dl-Isoprenaline
Racemic isoprenaline
dl-Isopropylnoradrenaline
dl-N-Isopropylnoradrenaline
DL-Isopropylnorepinephrine
dl-Isadrine
Racemic isoproterenol
DL(±)-Isoproterenol
DL-Isoproterenol
dl-Isoproterenol
Isorenin
Isupren
Epinephrine isopropyl homolog
Vapo-N-Iso
Neo-Epinine
Neodrenal
Isonorin
A 21
NSC 33791
NSC 9975
1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-
Benzyl alcohol, 3,4-dihydroxy-α-[(isopropylamino)methyl]-
4-[1-Hydroxy-2-[(1-methylethyl)amino]ethyl]-1,2-benzenediol
Isoproterenol
Isoprenaline
Isopropylarterenol
Isopropylnoradrenaline
Isopropylnorepinephrine
N-Isopropylnorepinephrine
Aludrine
3,4-Dihydroxy-α-[(isopropylamino)methyl]benzyl alcohol
α-(Isopropylaminomoethyl)protocatechuyl alcohol
Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol
N-Isopropyl-β-dihydroxyphenyl-β-hydroxyethylamine
Identifiers:
SMILES:
CC(C)NCC(O)c1ccc(O)c(O)c1
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 211.261 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 211.120843404 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 15 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 72.72 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1291999999999998 | RDKit |
| molecular_mass | 211.26 g/mol | Legacy Database |
| density | 1.32 g/cm³ | Legacy Database |
| cas-canonical-smile | OC1=CC=C(C=C1O)C(O)CNC(C)C None | Legacy Database |
| cas-density | 1.32 g/cm3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=JWZZKOKVBUJMES-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 170.5 °C None | Legacy Database |
| cas-name | Isoproterenol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 57.870100000000036 | RDKit |
