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| CAS No.: | 87333-22-0 |
|---|---|
| Name: | N-Acetyl-3-chloro-L-serine methyl ester |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H10ClNO3 |
| Molecular Weight: | 179.603 |
| Synonyms: | (?à)-Methyl2-(acetylamino)-3-chloropropionate;DL-N-Acetyl-b-chloroalanine methyl ester;NSC 146378; |
| Density: | 1.207 g/cm3 |
| Melting Point: | 74-76oC |
| Boiling Point: | 303.6 °C at 760 mmHg |
| Flash Point: | 137.4 °C |
| Solubility: | Soluble in dichloromethane, ethyl acetate and methanol |
| Appearance: | off-white crystalline powder |
| PSA: | 75.63000 |
| LogP: | -0.38780 |
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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).