4-(3-(2-Hydroxy-2-(4-hydroxyphenyl)-ethyl)aminobutyl)phenol

CAS

97825-25-7

Catalog Number

ACM97825257

Category

Other Products

Molecular Weight

301.38

Molecular Formula

C₁₈H₂₃NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

RACTOPAMINE;RACTOPAMINE 99%;4-Hydroxy-a-[[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]benzenemethanol;el737;4-[3-[2-Hydroxy-2-(4-hydroxyphenyl)-ethyl]aminobutyl]phenol;4-Hydroxy-α-[[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]benzenemethanol

Density

1.189

What is the molecular formula of the compound?

The molecular formula of the compound is C18H24ClNO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 337.8 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[(3R)-3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol hydrochloride.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H/t13-,18+;/m1./s1.

What is the InChIKey of the compound?

The InChIKey of the compound is JHGSLSLUFMZUMK-WJKBNZMCSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O.Cl.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is C[C@H](CCC1=CC=C(C=C1)O)NC[C@@H](C2=CC=C(C=C2)O)O.Cl.

What is the CAS number of the compound?

The CAS number of the compound is 74432-68-1.

What is the UNII of the compound?

The UNII of the compound is 8XI60IX48K.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 5.