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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP 1.1291999999999998 RDKit

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

Molar

Property Value Source
Molar Refractivity 57.870100000000036 RDKit

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