Chemical Property of CID 120699
Chemical Property:
- Vapor Pressure:1.31E-19mmHg at 25°C
- Boiling Point:703°Cat760mmHg
- Flash Point:378.9°C
- PSA:148.42000
- Density:1.41g/cm3
- LogP:2.43860
- XLogP3:0.8
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:2
- Exact Mass:450.29545371
- Heavy Atom Count:32
- Complexity:667
- Purity/Quality:
-
99% *data from raw suppliers
CHAKSINE 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1CCCC(C(=O)OCC(CCCC(C(=O)OC1)C2CN=C(N2)N)C)C3CN=C(N3)N
- Isomeric SMILES:C[C@@H]1CCC[C@@H](C(=O)OC[C@@H](CCC[C@@H](C(=O)OC1)[C@@H]2CN=C(N2)N)C)[C@@H]3CN=C(N3)N