4-(5-Butoxy-4-penten-2-ynyl)morpholine

The Morpholine,4-(5-butoxy-4-penten-2-yn-1-yl)-, with the CAS registry number 143337-73-9, is also known as 4-(5-Butoxy-4-penten-2-ynyl)morpholine. This chemical's molecular formula is C₁₃H₂₁NO₂ and molecular weight is 223.31134. Its IUPAC name is called 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine. In addition, this chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Morpholine,4-(5-butoxy-4-penten-2-yn-1-yl)-: (1)ACD/LogP: 3.43; (2)ACD/LogD (pH 5.5): 3.16; (3)ACD/LogD (pH 7.4): 3.43; (4)ACD/BCF (pH 5.5): 127.78; (5)ACD/BCF (pH 7.4): 237.19; (6)ACD/KOC (pH 5.5): 936.92; (7)ACD/KOC (pH 7.4): 1739.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.491; (11)Molar Refractivity: 65.18 cm³; (12)Molar Volume: 224.9 cm³; (13)Surface Tension: 36.5 dyne/cm; (14)Density: 0.992 g/cm³; (15)Flash Point: 102.5 °C; (16)Enthalpy of Vaporization: 55.61 kJ/mol; (17)Boiling Point: 314.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000454 mmHg at 25°C.

Preparation of Morpholine,4-(5-butoxy-4-penten-2-yn-1-yl)-: this chemical can be prepared by morpholine, formaldehyde and 1-butoxy-but-1-en-3-yne. This reaction will need reagent CuCl and solvent dioxane. The reaction time is 2 hours. The yield is about 55%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC=CC#CCN1CCOCC1
(2)Isomeric SMILES: CCCCO/C=C/C#CCN1CCOCC1
(3)InChI: InChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3/b11-6+
(4)InChIKey: WKUZASLJYKAXOR-IZZDOVSWSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	135mg/kg (135mg/kg)		Pharmaceutical Chemistry Journal Vol. 26, Pg. 162, 1992.