Chemical Property of Pentasine
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA：320.48000
- Density:g/cm3
- LogP:2.90450
- XLogP3:-12.2
- Hydrogen Bond Donor Count:10
- Hydrogen Bond Acceptor Count:15
- Rotatable Bond Count:24
- Exact Mass:653.35101678
- Heavy Atom Count:46
- Complexity:1040
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:C1=C(C=[N+](C(=C1CCC(C(=O)O)N)C(=CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCCCC(C(=O)O)N)CCC(C(=O)O)N
- Isomeric SMILES:C1=C(C=[N+](C(=C1CC[C@@H](C(=O)O)N)/C(=C/CCC[C@@H](C(=O)O)N)/CC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N
