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104195-80-4

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Basic Information
CAS No.: 104195-80-4
Name: (2S,3S)-2-Amino-3-methoxybutanoic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 104195-80-4 ((2S,3S)-2-Amino-3-methoxybutanoic acid)
Formula: C5H11 N O3
Molecular Weight: 133.147
Synonyms: 2S,3S-2-Amino-3-methoxybutanoic acid;
Density: 1.143 g/cm3
Melting Point: 220-224 ºC
Boiling Point: 248 °C at 760 mmHg
Flash Point: 103.8 °C
Solubility: soluble
Safety: S24/25
PSA: 72.55000
LogP: -0.43220
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Chemistry

Molecule structure of (2S,3S)-2-Amino-3-methoxybutanoic acid (CAS NO.104195-80-4):

IUPAC Name: (2S,3S)-2-Azaniumyl-3-methoxybutanoate
Molecular Weight: 133.14574 [g/mol]
Molecular Formula: C5H11NO3
Melting Point: 220-224 °C
Water Solubility: soluble
XLogP3-AA: -2.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count; 2
Exact Mass: 133.073893
MonoIsotopic Mass: 133.073893
Topological Polar Surface Area: 77
Heavy Atom Count: 9
Index of Refraction: 1.461
Molar Refractivity: 31.97 cm3
Molar Volume: 116.4 cm3
Surface Tension: 41.8 dyne/cm
Density: 1.143 g/cm3
Flash Point: 103.8 °C
Enthalpy of Vaporization: 53.42 kJ/mol
Boiling Point: 248 °C at 760 mmHg
Vapour Pressure: 0.008 mmHg at 25 °C 
Canonical SMILES: CC(C(C(=O)[O-])[NH3+])OC
Isomeric SMILES: C[C@@H]([C@@H](C(=O)[O-])[NH3+])OC
InChI: InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4-/m0/s1
InChIKey: FYCWLJLGIAUCCL-IMJSIDKUSA-N

Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.

Specification

 (2S,3S)-2-Amino-3-methoxybutanoic acid (CAS NO.104195-80-4) is also called dl-Erythro-O-methylthreonine ; L-allothreonine, O-methyl- ; O-Methyl-L-allothreonine . (2S,3S)-2-Amino-3-methoxybutanoic acid (CAS NO.104195-80-4) is white flakes.