L-Alanine,N-acetyl-3-chloro-, methyl ester (18635-38-6)

The CAS register number of Methyl 2-acetylamino-3-chloropropionate is 18635-38-6. It also can be called as Methyl 2-(acetylamino)-3-chloropropanoate and the IUPAC name about this chemical is methyl 2-acetamido-3-chloropropanoate.

Physical properties about Methyl 2-acetylamino-3-chloropropionate are: (1)ACD/LogP: -0.27 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.98; (5)ACD/KOC (pH 7.4): 16.98; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 46.61Ų; (10)Index of Refraction: 1.451; (11) Molar Refractivity: 40.05 cm³; (12)Molar Volume: 148.7 cm³; (13)Polarizability: 15.87x10^-24cm³; (14)Surface Tension: 36 dyne/cm; (15)Enthalpy of Vaporization: 54.39 kJ/mol; (16)Boiling Point: 303.6 °C at 760 mmHg; (17)Vapour Pressure: 0.000924 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)OC)CCl)C
(2)InChI: InChI=1/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)
(3)InChIKey: IGKDMFMKAAPDDN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)
(5)Std. InChIKey: IGKDMFMKAAPDDN-UHFFFAOYSA-N