1H-Imidazole-1-propanoicacid, a-amino-, (aR)- (9CI) (848396-10-1)

The 3-(N-Ethanolamino)-L-alanine, with cas registry number 848396-10-1, belongs to the following product categories: Amino Acids. It has the systematic name of 3-(1H-imidazol-1-yl)-D-alanine. And it is also called D-alanine, 3-(1H-imidazol-1-yl)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 81.14 Å²; (6)Index of Refraction: 1.631; (7)Molar Refractivity: 38.27 cm3; (8)Molar Volume: 107.3 cm³; (9)Polarizability: 15.17×10^-24cm³; (10)Surface Tension: 63.9 dyne/cm; (11)Enthalpy of Vaporization: 70.71 kJ/mol; (12)Vapour Pressure: 1.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn(cn1)CC(C(=O)O)N
(2)InChI: InChI=1/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m1/s1
(3)InChIKey: FWBXNMSLCRNZOV-RXMQYKEDBM
(4)Std. InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m1/s1
(5)Std. InChIKey: FWBXNMSLCRNZOV-RXMQYKEDSA-N