L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-


Chemical Name: L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
CAS Number: 62571-86-2
Product Number: AG003OP1(AGN-PC-0ODS7R)
Synonyms:
MDL No:
Molecular Formula: C9H15NO3S
Molecular Weight: 217.2853

Identification/Properties


Properties
MP:
104-108 °C(lit.)
BP:
427.043°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
-127.5 ° (C=1.7, EtOH)
Solubility:
H2O: 0.1 g/mL, very slightly hazy, colorless
Computed Properties
Molecular Weight:
217.283g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
217.077g/mol
Monoisotopic Mass:
217.077g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
244
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H315-H319-H413
Precautionary Statements:
P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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