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Substance Name: 1-(2-Cyanoethyl)-5-oxo-L-proline
RN: 41563-94-4
InChIKey: MISMXAVSVZNOFP-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-N2-O3

Molecular Weight

  • 182.178
 
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Names and Synonyms

Synonym

  • EINECS 255-441-3

Systematic Name

  • 1-(2-Cyanoethyl)-5-oxo-L-proline

Registry Numbers

CAS Registry Number

  • 41563-94-4

System Generated Number

  • 0041563944

Structure Descriptors

InChI

1S/C8H10N2O3/c9-4-1-5-10-6(8(12)13)2-3-7(10)11/h6H,1-3,5H2,(H,12,13)

InChIKey

MISMXAVSVZNOFP-UHFFFAOYSA-N

Smiles

N1([C@@H](C(=O)O)CCC1=O)CCC#N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.990 (none)   EST
Water Solubility 4.96E+05 mg/L 7 EXP
Atmospheric OH Rate Constant 9.31E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.