Identification Chemical Properties Supplier

2411540-29-7

Name 1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)-
CAS 2411540-29-7
Molecular Formula C16H21NO3
Molecular Weight 275.34
MOL File 2411540-29-7.mol
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Chemical Properties

Boiling point  401.7±45.0 °C(Predicted)
density  1.115±0.06 g/cm3(Predicted)
pka -2.58±0.60(Predicted)
InChI InChI=1S/C16H21NO3/c1-3-14-9-17(10-15(14)12(2)18)16(19)20-11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-11H2,1-2H3/t14-,15-/m1/s1
InChIKey IDAIPNZJYAVREK-HUUCEWRRSA-N
SMILES N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(C)=O)C1

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