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63887-51-4

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Basic Information
CAS No.: 63887-51-4
Name: N,N-Diethyl-2-(allyloxy)benzamide
Molecular Structure:
Molecular Structure of 63887-51-4 (N,N-Diethyl-2-(allyloxy)benzamide)
Formula: C14H19 N O2
Molecular Weight: 233.31
Synonyms: Benzamide,N,N-diethyl-2-(2-propenyloxy)- (9CI); Benzamide, o-(allyloxy)-N,N-diethyl-(6CI)
Density: 1.015g/cm3
Boiling Point: 376.6°Cat760mmHg
Flash Point: 181.5°C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also ALLYL COMPOUNDS.
PSA: 29.54000
LogP: 2.73340
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Chemistry

IUPAC Name: N,N-Diethyl-2-prop-2-enoxybenzamide
Synonyms of o-Allyloxy-N,N-diethylbenzamide (CAS NO.63887-51-4): Benzamide, o-allyloxy-N,N-diethyl-
InChI: InChI=1/C14H19NO2/c1-4-11-17-13-10-8-7-9-12(13)14(16)15(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3
InChIKey: UACSYZPPUXXDTL-UHFFFAOYAJ
Std. InChI: InChI=1S/C14H19NO2/c1-4-11-17-13-10-8-7-9-12(13)14(16)15(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3
Std. InChIKey: UACSYZPPUXXDTL-UHFFFAOYSA-N
CAS NO: 63887-51-4
Molecular Formula: C14H19NO2
Molecular Weight: 233.3062
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.517
Molar Refractivity: 69.57 cm3
Molar Volume: 229.8 cm3
Surface Tension: 35.9 dyne/cm
Density: 1.015 g/cm3
Flash Point: 181.5 °C
Enthalpy of Vaporization: 62.42 kJ/mol
Boiling Point: 376.6 °C at 760 mmHg
Vapour Pressure: 7.18E-06 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
rat LD50 oral 325mg/kg (325mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.

Safety Profile

Poison by ingestion and intraperitoneal routes. When o-Allyloxy-N,N-diethylbenzamide (CAS NO.63887-51-4) is heated to decomposition, it emits toxic fumes of NOx. See also ALLYL COMPOUNDS.