Basic Description

Synonyms	4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol sulfate(2:1) \| dl-alpha-3,4-Dihydroxyphenyl-beta-propylaminoethanol sulfate \| dl-Isoprenaline sulfate \| (+)-4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol sulfate (2:1) (salt) \| AS-57559 \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Catechols
Alternative Parents	Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic sulfuric acids Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Not available
Substituents	Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Sulfuric acid - Aralkylamine - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504751634
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751634
IUPAC Name	4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;sulfuric acid
INCHI	InChI=1S/2C11H17NO3.H2O4S/c21-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h23-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
InChIKey	ZOLBALGTFCCTJF-UHFFFAOYSA-N
Smiles	CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.OS(=O)(=O)O
Isomeric SMILES	CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.OS(=O)(=O)O
RTECS	DO2273000
Molecular Weight	556.62
Reaxy-Rn	3802093
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3802093&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
J2225406	Certificate of Analysis	Oct 09, 2022	I157589
J2225407	Certificate of Analysis	Oct 09, 2022	I157589
J2225405	Certificate of Analysis	Oct 09, 2022	I157589

Chemical and Physical Properties

Solubility	Solubility in Water almost transparency
Melt Point(°C)	83 °C
Molecular Weight	520.600 g/mol
XLogP3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	520.209 Da
Monoisotopic Mass	520.209 Da
Topological Polar Surface Area	228.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	268.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Shuyu Ouyang, Dachuan Zhang, Tengfei Zhu, Shuting Yu, Wunier, Qian-Nan Hu, Yingying Le. (2021) Development of 3D-QSAR models for predicting the activities of chemicals to stimulate muscle growth via β2-adrenoceptor. TOXICOLOGY IN VITRO, 77 (105251).

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SKU	Size	Availability	Price
I157589-1g	1g	5	$21.90
I157589-5g	5g	3	$83.90
I157589-25g	25g	5	$270.90

Isoproterenol Sulfate Dihydrate - 98%, high purity , CAS No.299-95-6