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131234-99-6

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Basic Information
CAS No.: 131234-99-6
Name: (2S,3S)-2-Amino-3-ethoxybutanoic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 131234-99-6 ((2S,3S)-2-Amino-3-ethoxybutanoic acid)
Formula: C6H13NO3
Molecular Weight: 147.174
Synonyms: (2S,3S)-2-Amino-3-ethoxybutanoic acid;
Density: 1.106 g/cm3
Boiling Point: 258 °C at 760 mmHg
Flash Point: 109.8 °C
PSA: 72.55000
LogP: 0.52360
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Specification

The CAS register number of (2S,3S)-2-Amino-3-ethoxybutanoic acid is 131234-99-6. It also can be called as L-Allothreonine,O-ethyl- and the systematic name about this chemical is O-ethyl-L-allothreonine. The molecular formula about this chemical is C6H13NO3 and molecular weight is 147.17.

Physical properties about (2S,3S)-2-Amino-3-ethoxybutanoic acid are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): -1.97; (3)ACD/LogD (pH 7.4): -1.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 36.6 cm3; (14)Molar Volume: 132.9 cm3; (15)Polarizability: 14.51x10-24cm3; (16)Surface Tension: 40.8 dyne/cm; (17)Enthalpy of Vaporization: 54.56 kJ/mol; (18)Boiling Point: 258 °C at 760 mmHg; (19)Vapour Pressure: 0.00427 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)[C@@H](OCC)C
(2)InChI: InChI=1/C6H13NO3/c1-3-10-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
(3)InChIKey: LULHTUNPBBMNSJ-WHFBIAKZBG
(4)Std. InChI: InChI=1S/C6H13NO3/c1-3-10-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
(5)Std. InChIKey: LULHTUNPBBMNSJ-WHFBIAKZSA-N