Propamocarb

The Propamocarb, with the CAS registry number 24579-73-5, is also known as Propyl 3-(dimethylamino)propylcarbamate. It belongs to the product categories of Fungicide; Alpha Sort; Carbamates Pesticides & Metabolites; Fungicides; N-PAlphabetic; P; Pesticides; PON - PT; Agro-Products; Amines. This chemical's molecular formula is C₉H₂₀N₂O₂ and molecular weight is 188.27. What's more, its IUPAC name is called Propyl N-[3-(dimethylamino)propyl]carbamate. This chemical can be prepared by N, N-Dimethyl-1, 3-dinpropylamine with Propyl chloroformate. This reaction needs deacid reagent at temperature of 30-40 °C. The yield is 66-67 %. It is used as agriculture fungicide and pesticide intermediate. When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful if swallowed.

Physical properties about Propamocarb are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -0.7; (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): 1.45; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 52.83 cm³; (15)Molar Volume: 196.6 cm³; (16)Surface Tension: 32.2 dyne/cm; (17)Density: 0.957 g/cm³; (18)Flash Point: 118.5 °C; (19)Enthalpy of Vaporization: 51.06 kJ/mol; (20)Boiling Point: 272.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00613 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCC)NCCCN(C)C
(2) InChI: InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
(3) InChIKey: WZZLDXDUQPOXNW-UHFFFAOYSA-N