Alanine, N-acetyl-3-chloro-, methyl ester

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0 Metric Ton	Negotiable

0 Metric Ton

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Purity: 99

Keywords

Methyl N-acetyl-3-chloroalaninate Methyl 2-acetamido-3-chloropropanoate Methyl N-acetyl-3-chloroalaninate

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Application:The Alanine, N-acetyl-3-chloro-, methyl ester, with the CAS registry number 40026-27-5, is also known as Methyl 2-acetamido-3-chloropropanoate.
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The Alanine, N-acetyl-3-chloro-, methyl ester, with the CAS registry number 40026-27-5, is also known as Methyl 2-acetamido-3-chloropropanoate. This chemical's molecular formula is C₆H₁₀ClNO₃ and molecular weight is 179.6. What's more, its systematic name is methyl N-acetyl-3-chloroalaninate.

Physical properties of Alanine, N-acetyl-3-chloro-, methyl ester are: (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)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 40.05 cm³; (13)Molar Volume: 148.7 cm³; (14)Polarizability: 15.87×10^-24cm³; (15)Surface Tension: 36 dyne/cm; (16)Density: 1.207 g/cm³; (17)Flash Point: 137.4 °C; (18)Enthalpy of Vaporization: 54.39 kJ/mol; (19)Boiling Point: 303.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000924 mmHg at 25°C.

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

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