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CAS No.: | 458-24-2 |
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Name: | FENFLURAMINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C12H16 F3 N |
Molecular Weight: | 231.261 |
Synonyms: | Phenethylamine,N-ethyl-a-methyl-m-(trifluoromethyl)-(7CI,8CI); (?à)-Fenfluramine;3-(Trifluoromethyl)-N-ethyl-a-methylphenethylamine; Acino; DL-Fenfluramine; Fenfluramine; N-Ethyl-a-methyl-3-(trifluoromethyl)phenethylamine;Obedrex; Pesos; Ponderax PA; Rotondin; dl-Fenfluramine |
EINECS: | 207-276-3 |
Density: | 1.078 g/cm3 |
Melting Point: | 170°C |
Boiling Point: | 243.1 ºC at 760 mmHg |
Flash Point: | 100.8 ºC |
Hazard Symbols: | F,T |
Risk Codes: | 11-23/24/25-39/23/24/25 |
Safety: | A human poison by ingestion. An experimental poison by ingestion and intraperitoneal routes. Human systemic effects by ingestion: hallucinations, distorted perceptions, and autonomic nervous system effects (an adrenergic stimulant). Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of F− and NOx. See also AMINES. |
PSA: | 12.03000 |
LogP: | 3.63680 |
Molecule structure of N-Ethyl-alpha;-methyl-m-(trifluoromethyl)-phenethylamine (CAS NO.458-24-2) :
IUPAC Name: N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Molecular Weight: 231.25735 g/mol
Molecular Formula: C12H16F3N
Density: 1.078 g/cm3
Boiling Point: 243.1 °C at 760 mmHg
Flash Point: 100.8 °C
Water Solubility: 412 mg/L
Molar Volume: 214.4 cm3
Polarizability: 23.08×10-24 cm3
Surface Tension: 26.3 dyne/cm
Enthalpy of Vaporization: 48.01 kJ/mol
Vapour Pressure: 0.0327 mmHg at 25 °C
Henry's Law Constant: 2.73E-05 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 3.31E-11 cm3/molecule-sec at 25 °C
XLogP3: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 231.123484
MonoIsotopic Mass: 231.123484
Topological Polar Surface Area: 12
Heavy Atom Count: 16
Complexity: 203
Canonical SMILES: CCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
InChIKey: DBGIVFWFUFKIQN-UHFFFAOYSA-N
EINECS of N-Ethyl-alpha;-methyl-m-(trifluoromethyl)-phenethylamine (CAS NO.458-24-2) : 207-276-3
1. | orl-hmn LDLo:50 mg/kg | LANCAO Lancet. 2 (1969),1306. | ||
2. | orl-man TDLo:4286 µg/kg:ANS,CNS | THERAP Therapie. 34 (1979),205. | ||
3. | orl-rat LD50:130 mg/kg | JMCMAR Journal of Medicinal Chemistry. 18 (1975),177. | ||
4. | orl-mus LD50:170 mg/kg | ISYAM* Amphetamines and Related Compounds E. Costa, ed.,New York, NY.: Raven Press,1970,75. | ||
5. | ipr-mus LD50:53 mg/kg | ISYAM* Amphetamines and Related Compounds E. Costa, ed.,New York, NY.: Raven Press,1970,75. | ||
6. | orl-dog LD50:100 mg/kg | ISYAM* Amphetamines and Related Compounds E. Costa, ed.,New York, NY.: Raven Press,1970,75. |
A human poison by ingestion. An experimental poison by ingestion and intraperitoneal routes. Human systemic effects by ingestion: hallucinations, distorted perceptions, and autonomic nervous system effects (an adrenergic stimulant). Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of F− and NOx. See also AMINES.
N-Ethyl-alpha;-methyl-m-(trifluoromethyl)-phenethylamine (CAS NO.458-24-2) is also called Fenfluramine ; Aurora KA-7683 ; 1-(Meta-Trifluoromethyl-phenyl)-2 ethylaminopropane ; 3-(Trifluoromethyl)-N-ethyl-alpha-methylphenethylamine ; Acino ; Adipomin ; N-Ethyl-1-[3-(trifluoromethyl)phenyl]-2-propanamine .