4-Amino-3-penten-2-one

The 3-Penten-2-one,4-amino-, with the CAS registry number 1118-66-7, is also known as 4-Amino-3-penten-2-one. It belongs to the product category of Ketone. This chemical's molecular formula is C₅H₉NO and molecular weight is 99.13. What's more, its systematic name is 3-Penten-2-one, 4-amino-. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides.

Physical properties of 3-Penten-2-one,4-amino- are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.55; (8)ACD/KOC (pH 7.4): 19.24; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 28.67 cm³; (15)Molar Volume: 105.2 cm³; (16)Polarizability: 11.36×10^-24 cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.941 g/cm³; (19)Flash Point: 62.1 °C; (20)Enthalpy of Vaporization: 41.54 kJ/mol; (21)Boiling Point: 179.1 °C at 760 mmHg; (22)Vapour Pressure: 0.959 mmHg at 25°C.

Preparation: this chemical can be prepared by pentane-2,4-dione at the ambient temperature. This reaction will need reagent ammonia gas and solvent ethanol with the reaction time of 3 hours. The yield is about 72.7%.

Uses of 3-Penten-2-one,4-amino-: it can be used to produce 1-(2,4,6-trimethyl-[3]pyridyl)-ethanone at the temperature of 125 °C and high pressure. It will need reagent trimethylchlorosilane and solvent benzene with the reaction time of 4.5 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you can't breathe dust and you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=CC(=O)C)N
(2)InChI: InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-
(3)InChIKey: OSLAYKKXCYSJSF-ARJAWSKDSA-N