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R-(-)-Fluoxetine hydrochloride

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Name

R-(-)-Fluoxetine hydrochloride

EINECS N/A
CAS No. 114247-09-5 Density N/A
PSA 21.26000 LogP 5.62790
Solubility N/A Melting Point 126-129°C
Formula C17H18F3NO.ClH Boiling Point 395.1 °C at 760 mmHg
Molecular Weight 345.792 Flash Point 192.8 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 22-38-41
Molecular Structure Molecular Structure of 114247-09-5 (R-(-)-Fluoxetine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

Benzenepropanamine,N-methyl-g-[4-(trifluoromethyl)phenoxy]-, hydrochloride,(R)-;Benzenepropanamine, N-methyl-g-[4-(trifluoromethyl)phenoxy]-, hydrochloride, (gR)- (9CI);(-)-(R)-Fluoxetinehydrochloride;(-)-Fluoxetine hydrochloride;(R)-(-)-Fluoxetine hydrochloride;(R)-Fluoxetine hydrochloride;(R)-N-Methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylaminehydrochloride;

Article Data 17

R-(-)-Fluoxetine hydrochloride Specification

The CAS register number of R-(-)-Fluoxetine hydrochloride is 114247-09-5. It also can be called as Fluoxetine hydrochloride, R- and the systematic name about this chemical is (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride (1:1).

Physical properties about R-(-)-Fluoxetine hydrochloride are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47Å2; (13)Flash Point: 192.8 °C; (14)Enthalpy of Vaporization: 64.52 kJ/mol; (15)Boiling Point: 395.1 °C at 760 mmHg; (16)Vapour Pressure: 1.88E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to skin and risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. So people must wear eye / face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: Cl.FC(F)(F)c2ccc(O[C@@H](c1ccccc1)CCNC)cc2
2.InChI: InChI=1/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 
3.InChIKey: GIYXAJPCNFJEHY-PKLMIRHRBO
4.Std. 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

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