68252-19-7

Name Pirmenol
CAS 68252-19-7
Molecular Formula C22H30N2O
MDL Number MFCD01758678
Molecular Weight 338.49
MOL File 68252-19-7.mol
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Chemical Properties

Melting point  70-71°
Boiling point  499.6±45.0 °C(Predicted)
density  1.046±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 2mg/mL,DMSO: 5mg/mL,Ethanol: 10mg/mL,Ethanol:PBS (pH 7.2) (1:5): 0.16mg/mL
form  A solid
pka 12.66±0.29(Predicted)
color  White to v. dark grey
InChI 1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3/t18-,19+,22?
InChIKey APUDBKTWDCXQJA-QIDMFYOTSA-N
SMILES OC(C1=CC=CC=C1)(C2=NC=CC=C2)CCCN3[C@@H](C)CCC[C@H]3C

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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