1-Chloro-N,N,2-trimethylpropenylamine

The 1-Chloro-N,N,2-trimethylpropenylamine, with the CAS registry number 26189-59-3, is also known as 1-Propen-1-amine, 1-chloro-N,N,2-trimethyl-. It belongs to the product categories of Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C₆H₁₂ClN and molecular weight is 133.62. Its IUPAC name and systematic name are the same which is called 1-chloro-N,N,2-trimethylprop-1-en-1-amine. This chemical is colorless to yellow liquid.

Physical properties of 1-Chloro-N,N,2-trimethylpropenylamine: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 26.98; (6)ACD/BCF (pH 7.4): 28.52; (7)ACD/KOC (pH 5.5): 362.25; (8)ACD/KOC (pH 7.4): 382.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 38.15 cm³; (14)Molar Volume: 139.4 cm³; (15)Surface Tension: 25.9 dyne/cm; (16)Density: 0.958 g/cm³; (17)Flash Point: 51.2 °C; (18)Enthalpy of Vaporization: 39.76 kJ/mol; (19)Boiling Point: 161 °C at 760 mmHg; (20)Vapour Pressure: 2.32 mmHg at 25°C.

Uses of 1-Chloro-N,N,2-trimethylpropenylamine: it can be used to produce 2-acetyl-2,4,4-trimethyl-cyclobutanone and 3-acetyl-2,2,3-trimethyl-cyclobutanone. This reaction will need reagent ZnCl₂ and solvent CH₂Cl₂ with reaction time of 14 hours. The yield is about 34%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It can cause burns. You should keep away from sources of ignition - No smoking. In case of contact with eyes, you must rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=C(N(C)C)Cl)C
(2)InChI: InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
(3)InChIKey: GQIRIWDEZSKOCN-UHFFFAOYSA-N