(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride

• ChemBase ID: 153158
• Molecular Formular: C10H13ClF3N
• Molecular Mass: 239.6651296
• Monoisotopic Mass: 239.06886176
• SMILES: C[C@@H](Cc1cccc(c1)C(F)(F)F)N.Cl
• Canonical SMILES: C[C@@H](Cc1cccc(c1)C(F)(F)F)N.Cl
• InChI: InChI=1S/C10H12F3N.ClH/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13;/h2-4,6-7H,5,14H2,1H3;1H/t7-;/m0./s1
• InChIKey: PIDLOFBRTWNFAR-FJXQXJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride
• IUPAC Traditional name: (2S)-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride
• Synonyms: (+)-Norfenfluramine hydrochloride; JP 92; NSC 43036; S-(+)-α-Methyl-3-(trifluoromethyl)benzeneethanamine hydrochloride; S-(+)-α-Methyl-3-(trifluoromethyl)benzeneethanamine 盐酸盐; (+)-Norfenfluramine 盐酸盐

Database IDs

• CAS Number: 37936-89-3
• MDL Number: MFCD11045299
• PubChem SID: 162247298
• PubChem CID: 71311600

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.33613905
• LogD (pH = 7.4): 0.22435018
• Log P: 2.6820989
• Molar Refractivity: 49.6789 cm^3
• Polarizability: 18.339003 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: >10 mg/mL
• Apperance: white powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C10H12F3N · HCl

DETAILS

Sigma Aldrich - N3288

Biochem/physiol Actions
(+)-Norfenfluramine is the major hepatic metabolite of (+)-fenfluramine and is primarily responsible for the anorexic effect, as well as side effects; (+)-norfenfluramine causes vasoconstriction and a blood pressure increase in rats with normal blood; acts primarily on the cytoplasmic pool of serotonin; more potent than fenfluramine at inducing dopamine release.