4-DIETHYLAMINO-2-BUTYN-1-OL

The 2-Butyn-1-ol, 4-(diethylamino)-, with the CAS registry number 10575-25-4, is also known as 1-(Diethylamino)-2-butyn-4-ol. It belongs to the product categories of Chemical Amines; Acetylenes; Acetylenic Alcohols & Their Derivatives; Amines; Amino Alcohols; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 234-163-6. This chemical's molecular formula is C₈H₁₅NO and molecular weight is 141.21. What's more, its IUPAC name is 4-(Diethylamino)but-2-yn-1-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 2-Butyn-1-ol, 4-(diethylamino)- are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 42.37 cm³; (15)Molar Volume: 148.6 cm³; (16)Polarizability: 16.79×10^-24 cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 0.949 g/cm³; (19)Flash Point: 89.7 °C; (20)Enthalpy of Vaporization: 53.35 kJ/mol; (21)Boiling Point: 222.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0209 mmHg at 25 °C.

Preparation of 2-Butyn-1-ol, 4-(diethylamino)-: this chemical is prepared by reaction of Prop-2-yn-1-ol, Formaldehyde with Diethylamine. This reaction needs reagents H₂SO₄ and CuSO₄. Meanwhile, it needs solvent H₂O. The reaction time is 1 hour with reaction temperature of 80 °C. The yield is about 75 %.

Uses of 2-Butyn-1-ol, 4-(diethylamino)-: it is used to produce other chemicals. For example, it is used to produce N-Phenyl-carbaminsaeure-(4-diethylamino-but-2-inyl-ester). The reaction time is 3 days with reaction temperature of 18-25 °C. The yield is about 96 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#CCO)CN(CC)CC
(2) InChI: InChI=1/C8H15NO/c1-3-9(4-2)7-5-6-8-10/h10H,3-4,7-8H2,1-2H3
(3) InChIKey: ACGZBRWTWOZSFU-UHFFFAOYAR