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114247-09-5

Basic Information
CAS No.: 114247-09-5
Name: R-(-)-Fluoxetine hydrochloride
Article Data: 17
Molecular Structure:
Molecular Structure of 114247-09-5 (R-(-)-Fluoxetine hydrochloride)
Formula: C17H18F3NO.ClH
Molecular Weight: 345.792
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;
Melting Point: 126-129°C
Boiling Point: 395.1 °C at 760 mmHg
Flash Point: 192.8 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-38-41
Safety: 26-39
PSA: 21.26000
LogP: 5.62790
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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