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Basic Information
CAS No.: 3218-37-9
Name: N,N-diethyl-4-{phenyl[2-(trifluoromethyl)phenyl]methoxy}pentan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate (1:1)
Molecular Structure:
Molecular Structure of 3218-37-9 (N,N-diethyl-4-{phenyl[2-(trifluoromethyl)phenyl]methoxy}pentan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate (1:1))
Formula: C23H30F3NO•C6H8O7
Molecular Weight: 585.68
Boiling Point: 423.7°C at 760 mmHg
Flash Point: 210.1°C
Safety: Poison by ingestion and intravenous routes. See also FLUORIDES. When heated to decomposition it emits very toxic fumes of F− and NOx.
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  • N,N-DIETHYL-4-(α-(α,α,α-TRIFLUORO-o-TOLYL) BENZYLOXY)PENTYLAMINE CITRATE

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    N,N-DIETHYL-4-(α-(α,α,α-TRIFLUORO-o-TOLYL) BENZYLOXY)PENTYLAMINE CITRATE

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Chemistry

IUPAC Name: N,N-Diethyl-4-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]pentan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms of N,N-DiethyL-4-(α-(α,α,α-trifluoro-o-tolyl) benzyloxy)pentylamine citrate (CAS NO.3218-37-9): Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)-, citrate
InChI: InChI: InChI=1/C23H30F3NO.C6H8O7/c1-4-27(5-2)17-11-12-18(3)28-22(19-13-7-6-8-14-19)20-15-9-10-16-21(20)23(24,25)26;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-16,18,22H,4-5,11-12,17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: RAAJXWASYMJQFQ-UHFFFAOYAI
Std. InChI: InChI=1S/C23H30F3NO.C6H8O7/c1-4-27(5-2)17-11-12-18(3)28-22(19-13-7-6-8-14-19)20-15-9-10-16-21(20)23(24,25)26;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-16,18,22H,4-5,11-12,17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Std. InChIKey: RAAJXWASYMJQFQ-UHFFFAOYSA-N
CAS NO: 3218-37-9
Molecular Formula: C29H38F3NO8
Molecular Weight: 585.6091
Molecular Structure :
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 10
Polar Surface Area: 12.47 Å2
Flash Point: 210.1 °C
Enthalpy of Vaporization: 67.81 kJ/mol
Boiling Point: 423.7 °C at 760 mmHg
Vapour Pressure: 2.18E-07 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 20mg/kg (20mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.
mouse LDLo oral 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 964, 1964.

Safety Profile

Poison by ingestion and intravenous routes. See also FLUORIDES. When N,N-DiethyL-4-(α-(α,α,α-trifluoro-o-tolyl) benzyloxy)pentylamine citrate (CAS NO.3218-37-9) is heated to decomposition ,it emits very toxic fumes of F− and NOx.