Chemical Property of Pentolame
Chemical Property:
- Boiling Point:532.9±50.0 °C(Predicted)
- PKA:10.26±0.40(Predicted)
- PSA:0.00000
- Density:1.13±0.1 g/cm3(Predicted)
- LogP:0.00000
- XLogP3:4.7
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:3
- Rotatable Bond Count:6
- Exact Mass:357.266779359
- Heavy Atom Count:26
- Complexity:469
- Purity/Quality:
-
PENTOLAME 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC12CCC3C(C1CCC2NCCCCCO)CCC4=C3C=CC(=C4)O
- Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCO)CCC4=C3C=CC(=C4)O