1H-Pyrrole-2-carboxylicacid, 3-amino-, ethyl ester (252932-48-2)

The cas register number of 3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester is 252932-48-2. It also can be called as 1H-Pyrrole-2-carboxylicacid, 3-amino-, ethyl ester and the Systematic name about this chemical is ethyl 3-amino-1H-pyrrole-2-carboxylate. It belongs to the following product categories, such as Glycinescaffold, Carboxylicester and so on.

Physical properties about 3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): -0.2; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.89; (6)ACD/KOC (pH 5.5): 2.91; (7)ACD/KOC (pH 7.4): 90.46; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.47Ų; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 41.32 cm³; (14)Molar Volume: 124.4 cm³; (15)Polarizability: 16.38x10^-24cm³; (16)Surface Tension: 54 dyne/cm; (17)Enthalpy of Vaporization: 55.18 kJ/mol; (18)Vapour Pressure: 0.000582 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1c(N)ccn1
(2)InChI: InChI=1/C7H10N2O2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2,8H2,1H3
(3)InChIKey: SPNDLEQTZLQLTA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H10N2O2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2,8H2,1H3
(5)Std. InChIKey: SPNDLEQTZLQLTA-UHFFFAOYSA-N