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| Name |
N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine |
EINECS | N/A |
| CAS No. | 62064-66-8 | Density | 1.133g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H18F3N | Boiling Point | 342.5°Cat760mmHg |
| Molecular Weight | 293.36 | Flash Point | 160.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of F− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine Chemical Properties
Molecule structure of N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine (CAS NO.62064-66-8):
IUPAC Name: N-Benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Molecular Weight: 293.32673 g/mol
Molecular Formula: C17H18F3N
Density: 1.133 g/cm3
Boiling Point: 342.5 °C at 760 mmHg
Flash Point: 160.9 °C
Index of Refraction: 1.515
Molar Refractivity: 78.08 cm3
Molar Volume: 258.6 cm3
Polarizability: 30.95×10-24 cm3
Surface Tension: 32.6 dyne/cm
Enthalpy of Vaporization: 58.63 kJ/mol
Vapour Pressure: 7.49E-05 mmHg at 25 °C
XLogP3-AA: 4.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 293.139134
MonoIsotopic Mass: 293.139134
Topological Polar Surface Area: 12
Heavy Atom Count: 21
Complexity: 297
Canonical SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NCC2=CC=CC=C2
InChI: InChI=1S/C17H18F3N/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20/h2-9,11,13,21H,10,12H2,1H3
InChIKey of N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine (CAS NO.62064-66-8): FSLXHGVLOIOQJK-UHFFFAOYSA-N
N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine Toxicity Data With Reference
| 1. | orl-mus LD50:300 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 27 (1977),116. | ||
| 2. | ipr-mus LD50:144 mg/kg | ISYAM* Amphetamines and Related Compounds E. Costa, ed.,New York, NY.: Raven Press,1970,21. |
N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of F− and NOx.
N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine Specification
N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine (CAS NO.62064-66-8) is also named as BRN 2660504 ; N-Benzyl-alpha-methyl-3-trifluoromethylphenethylamine ; Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl- .
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