CAS 114247-09-5 | Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, hydrochloride (1:1), (γR)- | CAS Number 114247-09-5

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114247-09-5 | Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, hydrochloride (1:1), (γR)-

CAS No: 114247-09-5 Catalog No: AG000AWL MDL No:

Product Description

Catalog Number:

AG000AWL

Chemical Name:

Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, hydrochloride (1:1), (γR)-

CAS Number:

114247-09-5

Molecular Formula:

C17H19ClF3NO

Molecular Weight:

345.7871

IUPAC Name:

(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride

InChI:

InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/t16-;/m1./s1

InChI Key:

GIYXAJPCNFJEHY-PKLMIRHRSA-N

SMILES:

CNCC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F.Cl

UNII:

7C4D25ST1T

Properties

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.79g/mol

Monoisotopic Mass:

345.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

21.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.	Nature chemical biology 20091001
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501