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Methyl 2-acetamido-3-chloro-L-propionate

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Name

Methyl 2-acetamido-3-chloro-L-propionate

EINECS N/A
CAS No. 87333-22-0 Density 1.207 g/cm3
PSA 75.63000 LogP -0.38780
Solubility Soluble in dichloromethane, ethyl acetate and methanol Melting Point 74-76oC
Formula C6H10ClNO3 Boiling Point 303.6 °C at 760 mmHg
Molecular Weight 179.603 Flash Point 137.4 °C
Transport Information N/A Appearance off-white crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 87333-22-0 (N-Acetyl-3-chloro-L-serine methyl ester) Hazard Symbols N/A
Synonyms

(?à)-Methyl2-(acetylamino)-3-chloropropionate;DL-N-Acetyl-b-chloroalanine methyl ester;NSC 146378;

Article Data 4

Methyl 2-acetamido-3-chloro-L-propionate Specification

With the CAS registry number 87333-22-0, Methyl 2-acetamido-3-chloro-L-propionate is also named as alanine, N-acetyl-3-chloro-, methyl ester; 2-acetylamino-3-chloro-propionic acid methyl ester. It is off-white crystalline powder which is soluble in dichloromethane, ethyl acetate and methanol. Methyl 2-acetamido-3-chloro-L-propionate should be sealed in the container and placed in dark aera. It can be used as Ramipril intermediate. The price of this product changes with the the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 16.98; (6)ACD/KOC (pH 7.4): 16.98; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.451; (11)Molar Refractivity: 40.05 cm3; (12)Molar Volume: 148.7 cm3; (13)Polarizability: 15.87×10-24 cm3; (14)Surface Tension: 36 dyne/cm; (15)Density: 1.207 g/cm3; (16)Flash Point: 137.4 °C; (17)Enthalpy of Vaporization: 54.39 kJ/mol; (18)Boiling Point: 303.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000924 mmHg at 25°C.

People can use the following data to convert to the molecule 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).

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