2-Butyn-1-ol,4-(diethylamino)-, 1-acetate (22396-77-6)

The 1-Acetoxy-4-diethylamino-2-butyne with the cas number 22396-77-6 is also called 2-Butyn-1-ol,4-(diethylamino)-acetate(ester). The IUPAC name is 4-(diethylamino)but-2-ynyl acetate. Its molecular formula is C₁₀H₁₇NO₂. This chemical belongs to the following product categories: (1)C10 to C11; (2)Carbonyl Compounds; (3)Esters.

The properties of the chemical are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 29.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 51.87 cm³; (15)Molar Volume: 187.6 cm³; (16)Polarizability: 20.56×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Enthalpy of Vaporization: 48.56 kJ/mol; (19)Vapour Pressure: 0.0242 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC#CCN(CC)CC)C
(2)InChI: InChI=1/C10H17NO2/c1-4-11(5-2)8-6-7-9-13-10(3)12/h4-5,8-9H2,1-3H3
(3)InChIKey: AQEDWWHCJSXKHP-UHFFFAOYAJ