Name: rac 5-Chloro-a-(cyclopropylethynyl)-2-[[(4-methoxyphenyl)methyl]amino]-a-(trifluoromethyl)benzenemethanol
Brand: TRC
SKU: TRC-C365145-25MG

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Product Overview

Product Code

TRC-C365145-25MG

CAS Number

221177-56-6

Product Format

Neat

Molecular Formula

C21 H19 Cl F3 N O2

Molecular Weight

409.83

Product Categories

TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

(S)-isomer: 173676-60-3

Documentation

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Product Information

Chemical Data

Analyte Name

rac 5-Chloro-alpha-(cyclopropylethynyl)-2-[((4-methoxyphenyl)methyl)amino]-alpha-(trifluoromethyl)benzenemethanol

CAS Number

221177-56-6

Molecular Formula

C21 H19 Cl F3 N O2

Molecular Weight

409.83

Accurate Mass

409.1056

SMILES

COc1ccc(CNc2ccc(Cl)cc2C(O)(C#CC3CC3)C(F)(F)F)cc1

InChI

InChI=1S/C21H19ClF3NO2/c1-28-17-7-4-15(5-8-17)13-26-19-9-6-16(22)12-18(19)20(27,21(23,24)25)11-10-14-2-3-14/h4-9,12,14,26-27H,2-3,13H2,1H3

IUPAC

2-[5-chloro-2-[(4-methoxyphenyl)methylamino]phenyl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol

Alternate CAS Number

(S)-isomer: 173676-60-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

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