N-Acetyl-L-alanine methyl ester supplier

Name
(S)-(+)-N-acetyl-L-alanine methyl ester
EINECS
CAS No. 869082-12-2
Density 1.056 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO₃
Boiling Point 251.1 °C at 760 mmHg
Molecular Weight 145.1564
Flash Point 105.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl N-acetyl-L-alaninate;(S)-(+)-N-acetyl-L-alanine methyl ester;
PSA
LogP

N-Acetyl-L-alanine methyl ester Specification

The N-Acetyl-L-alanine methyl ester, with the CAS registry number of 869082-12-2, is also known as L-Alanine, N-acetyl-, methyl ester. This chemical's molecular formula is C₆H₁₁NO₃ and molecular weight is 145.1564. What's more, its systematic name is called Methyl N-acetyl-L-alaninate.

Physical properties about N-Acetyl-L-alanine methyl ester are: (1)ACD/LogP: -0.72; (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): 9.64; (6)ACD/KOC (pH 7.4): 9.64; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.426; (12)Molar Refractivity: 35.2 cm³; (13)Molar Volume: 137.3 cm³; (14)Surface Tension: 31.7 dyne/cm; (15)Density: 1.056 g/cm³; (16)Flash Point: 105.7 °C; (17)Enthalpy of Vaporization: 48.84 kJ/mol; (18)Boiling Point: 251.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0209 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)OC)C)C
(2) InChI: InChI=1/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/m0/s1
(3) InChIKey: FQGVVDYNRHNTCK-BYPYZUCNBR

Product Name

(S)-(+)-N-acetyl-L-alanine methyl ester

N-Acetyl-L-alanine methyl ester Specification

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