Propanedinitrile,2-[3-(dimethylamino)-1-methoxy-2-propen-1-ylidene]- (95689-38-6)

The 1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene with the CAS number 95689-38-6 is also called Propanedinitrile,2-[3-(dimethylamino)-1-methoxy-2-propen-1-ylidene]-. The systematic name is [3-(dimethylamino)-1-methoxyprop-2-en-1-ylidene]propanedinitrile. Its molecular formula is C₉H₁₁N₃O. This chemical belongs to the following product categories: (1)Blocks; (2)BuildingBlocks.

The properties of the 1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -0.82; (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): 3.52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 60.05 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 48.83 cm³; (15)Molar Volume: 164.3 cm³; (16)Polarizability: 19.36×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Enthalpy of Vaporization: 56.5 kJ/mol; (19)Vapour Pressure: 0.000268 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(C#N)=C(\OC)C=CN(C)C
(2)InChI: InChI=1/C9H11N3O/c1-12(2)5-4-9(13-3)8(6-10)7-11/h4-5H,1-3H3
(3)InChIKey: YEUYKZLMAGACBX-UHFFFAOYAZ