1,4-BUTANEDIOL BIS(BETA-AMINOCROTONATE)

The 2-Butenoic acid, 3-amino-, 1, 1'-(1, 4-butanediyl) ester, with the CAS registry number 14205-47-1, is also known as Butane-1, 4-diyl bis(3-aminobut-2-enoate). Its EINECS registry number is 238-059-1. This chemical's molecular formula is C₁₂H₂₀N₂O₄ and molecular weight is 256.3. What's more, its IUPAC name is 4-(3-Aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate. In addition, it is used as stabilizer for PVC and vinylchloride copolymers for the food-packing industry.

Physical properties about 2-Butenoic acid, 3-amino-, 1, 1'-(1, 4-butanediyl) ester are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 14.03; (8)ACD/KOC (pH 7.4): 35.42; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 59.08 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 68.06 cm³; (15)Molar Volume: 227.7 cm³; (16)Polarizability: 26.98×10^-24 cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 191.2 °C; (20)Enthalpy of Vaporization: 68.16 kJ/mol; (21)Boiling Point: 426.8 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCOC(=O)C=C(N)C)C=C(N)C
(2) InChI: InChI=1/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3
(3) InChIKey: DFUXQARZEWMFLQ-UHFFFAOYAK