BENPROPERINE , 0.95&0.99 , 2156-27-6

CAS NO.：2156-27-6

Empirical Formula: C21H27NO

Molecular Weight: 309.45

MDL number: MFCD00866856

PRODUCT Properties

• Boiling point: bp0.2 159-161°
• Density: 1.0350 (rough estimate)
• refractive index: 1.5614 (estimate)
• solubility: DMSO:1.0(Max Conc. mg/mL);3.23(Max Conc. mM); PBS (pH:7.2):1.0(Max Conc. mg/mL);3.23(Max Conc. mM)
• pka: 9.46±0.50(Predicted)
• InChI: InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
• InChIKey: JTUQXGZRVLWBCR-UHFFFAOYSA-N
• SMILES: N1(C(C)COC2=CC=CC=C2CC2=CC=CC=C2)CCCCC1

Safety

• Toxicity: LD50 orally in mice: 1087 mg/kg (Tellini, De Fina)