Tnpal cholesterol

Base Information

• Chemical Name: Tnpal cholesterol
• CAS No.: 96337-56-3
• Molecular Formula: C45H70 N4 O8
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80914555
• Wikidata: Q82885351
• Mol file: 96337-56-3.mol

Synonyms:TNPAL cholesterol;trinitrophenylaminolauryl cholesterol

Chemical Property of Tnpal cholesterol

Chemical Property:

• Vapor Pressure: 3.42E-25mmHg at 25°C
• Boiling Point: 793.9°Cat760mmHg
• Flash Point: 433.9°C
• PSA: 175.79000
• Density: 1.15g/cm³
• LogP: 14.31990
• XLogP3: 15.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 20
• Exact Mass: 794.51936520
• Heavy Atom Count: 57
• Complexity: 1370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCCCCCCCNC5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCCCCCCCNC5=C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)C