DICHLOROISOPROTERENOL HYDROCHLORIDE

1. Names and Identifiers

1.2 Synonyms: 1-(3',4'-DICHLOROPHENYL)-2-ISOPROPYLAMINOETHANOL HYDROCHLORIDE; 1-(3,4-DICHLOROPHENYL)-2-ISOPROPYLAMINOETHANOL HYDROCHLORIDE; 3,4-dichloro-alpha-(((1-methylethyl)amino)methyl)-benzenemethanohydrochl; 3,4-dichloro-alpha-((isopropylamino)methyl)-benzylalcohohydrochloride; beta-hydroxy-n-isopropyl-3,4-dichloro-phenethylaminehydrochloride; compound20522; DCI hydrochloride; dcihydrochloride; Dichlorisoproterenol hydrochloride; Dichloroisoprenaline hydrochloride; EINECS 200-088-2;

1.7 Inchi: InChI=1S/C11H15Cl2NO.ClH/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8;/h3-5,7,11,14-15H,6H2,1-2H3;1H

2. MSDS

no data available

no data available

3. NMR Spectrum

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

IR : KBr disc

IR : nujol mull

4. Computed Properties

Molecular Weight：284.605g/mol
Molecular Formula：C₁₁H₁₆Cl₃NO
Compound Is Canonicalized：True
XLogP3-AA：283.029747
Monoisotopic Mass：283.029747
Complexity：189
Rotatable Bond Count：4
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：32.3
Heavy Atom Count：：16
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2
CACTVS Substructure Key Fingerprint：AAADceByIAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIQCAAADD7hmCYyAILAAgCAAiBCAAACAAAgBQAIisAICogKNiKBkxGEcAAk0AGYmAeQwKAOBAAAIAAAAAQIAABAAAAACAAAAAAAAA==