Synonyms
D-Lobamine
IUPAC Name
(2R)-2-Amino-4-methylsulfanylbutanoic acid
Molecular Weight
149.21
Molecular Formula
C5H11NO2S
Canonical SMILES
CSCCC(C(=O)O)N
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChI Key
FFEARJCKVFRZRR-SCSAIBSYSA-N
Boiling Point
306.9±37.0 °C
Melting Point
273-275 °C
Flash Point
139.4 °C
Purity
98%
Density
1.113 g/cm³
Solubility
Soluble in water but the crystals are somewhat water-repellant at first;Soluble in warm dilute alcohol; insoluble in absolute alcohol, ether, petroleum ether, benzene, acetone;Slightly soluble in acetic acid;In water, 56.6 g/L at 25 deg C;
Appearance
White to off-white powder
Storage
Sealed in dry, room temperature
Color Form
Minute hexagonal plates from dilute alcohol;Colorless or white, lustrous plates or as white, crystalline powder;
Complexity
97
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits very toxic fumes of /nitric oxide/ and /sulfur oxide/.;
Defined Atom Stereocenter Count
1
EC Number
206-483-6
Exact Mass
149.05104977
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
9
Isomeric SMILES
CSCC[C@H](C(=O)O)N
Monoisotopic Mass
149.05104977
Odor
Faint;
Other Experimental
Specific optical rotation: +8.12 deg at 25 deg C/D (c = 0.8); -21.19 deg at 25 deg C/D (c = 0.8 in 0.2N HCl) /Methione, D-form/;Platelets from alcohol. mp 281 deg C (decomposes), density 1.340; pKa1 = 2.28, pKa2 = 9.21; pH of 1% aqueous solution 5.6-6.1; Rf value 0.77. Solubility in water (g/L) at 0 deg C: 18.18; at 25 deg C: 33.81; at 50 deg C: 60/.70; at 75 deg C: 15.2 deg C. Soluble in dilute acids, alkalies. Very slightly soluble in 95% alcohol. Insoluble in ether. /Methionine, DL-form/;IR: 2549 (Coblentz Society Spectral Collection) /Methionine (DL)/;UV: 1-65 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Methionine (DL)/;13C NMR: 135 (Johnson and Jankowski, Carbon-13 NMR Spectra, John Wiley & Sons, New York) /Methionine (DL)/;MASS: 442 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /Methionine (DL)/;Henry's Law constant = 2.11X10-11 atm-cu m/mol at 25 deg C (est);Hydroxyl radical reaction rate constant = 5.13X10-11 cu cm/molec-sec at 25 deg C (est);
Refractive Index
1.5216
Rotatable Bond Count
4
Topological Polar Surface Area
88.6 Ų
UNII
868496F25R
Vapor Pressure
8.14X10-8 mm Hg at 25 deg C (est);
