Propanediamide,2-methyl- (1113-63-9)

The 2-Methylmalonodiamide with the cas number 1113-63-9 is also called Propanediamide,2-methyl-. The molecular formula of this chemical is C₄H₈N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -2.20; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.52; (6)ACD/KOC (pH 7.4): 1.52; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.62 Å²; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 27.66 cm³; (13)Molar Volume: 96.5 cm³; (14)Polarizability: 10.96×10^-24cm³; (15)Surface Tension: 50.1 dyne/cm; (16)Enthalpy of Vaporization: 65.12 kJ/mol; (17)Vapour Pressure: 1.28×10^-6 mmHg at 25°C.

Preparation: This chemical can be prepared by methylmalonic acid diethyl ester. This reaction needs reagent MH3 gas and solvent methanol at temperature of 110 °C. The reaction time is 16 hours. The yield is 98%.

Uses: This chemical can prepare methylmalononitrile. This reaction needs reagent phosphoric acid anhydride.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(C(=O)N)C
(2)InChI: InChI=1/C4H8N2O2/c1-2(3(5)7)4(6)8/h2H,1H3,(H2,5,7)(H2,6,8)
(3)InChIKey: CGRKYGKHZOCPSZ-UHFFFAOYAW