3-Amino-3-iminopropanoic acid ethyl ester (50551-10-5)

The 3-Amino-3-iminopropanoic acid ethyl ester, with cas registry number 50551-10-5, has the systematic name of ethyl (3Z)-3-amino-3-iminopropanoate. It is also called Propanoic acid, 3-amino-3-imino-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: -0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -2.63; (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; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 41.9 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 31.46 cm³; (15)Molar Volume: 109.2 cm³; (16)Polarizability: 12.47×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Enthalpy of Vaporization: 43.33 kJ/mol; (19)Vapour Pressure: 0.386 mmHg at 25°C. 

 You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCC)CC(=[N@H])N
(2)InChI: InChI=1/C5H10N2O2/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H3,6,7)
(3)InChIKey: HSDKTLKBDJXJQU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H10N2O2/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H3,6,7)
(5)Std. InChIKey: HSDKTLKBDJXJQU-UHFFFAOYSA-N