4-Nitrophenyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate

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CAS NO.: 33755-53-2 Catalog: IMI352
Formula: C16H19N3O5S Purity: 97.00% +
Molecular Weight: 365.4 Pubchem CID: 83848
InChI Key: YUDNXDTXQPYKCA-YDHLFZDLSA-N
Canonical SMILES: C1C2C(C(S1)CCCCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N2
Storage: Store in a cool, dry and well-ventilated area away from incompatible substances.
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Properties Information

Melting point:
163-165 °C(lit.)
Boiling point:
642.9±50.0 °C(Predicted)
Density 
1.326±0.06 g/cm3(Predicted)
storage temp. 
-20°C
solubility 
methanol: soluble25mg/mL, clear, colorless to greenish-yellow
pka
13.89±0.40(Predicted)
optical activity
[a]25/D +51°, c = 2 in DMF: AcOH (99:1)
BRN 
5795805
InChIKey
YUDNXDTXQPYKCA-OWYJLGKBSA-N

Safety Information

Safety Statements 
22-24/25
WGK Germany 
3
F 
10-21
HS Code 
29349990