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157115-85-0

Name ethyl 2-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]acetate
CAS 157115-85-0
EINECS(EC#) 1592732-453-0
Molecular Formula C17H22N2O4
MDL Number MFCD00941121
Molecular Weight 318.37
MOL File 157115-85-0.mol

Chemical Properties

Melting point  94.0 to 98.0 °C
Boiling point  547.3±50.0 °C(Predicted)
density  1.202±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  Soluble in DMSO (up to 25 mg/ml)
form  powder
pka 13.41±0.20(Predicted)
color  white to beige
optical activity [α]/D -115 to -125°, c = 0.5 in chloroform-d
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
InChI InChI=1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKey PJNSMUBMSNAEEN-AWEZNQCLSA-N
SMILES C(OCC)(=O)CNC(=O)[C@@H]1CCCN1C(CC1=CC=CC=C1)=O
CAS DataBase Reference 157115-85-0

Safety Data

RTECS  MC0814400
HS Code  29339900

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