Trisnorsqualene cyclopropylamine

Base Information

• Chemical Name: Trisnorsqualene cyclopropylamine
• CAS No.: 123594-76-3
• Molecular Formula: C30H51 N
• Molecular Weight: 425.73264
• DSSTox Substance ID: DTXSID801126281
• ChEMBL ID: CHEMBL511506
• Mol file: 123594-76-3.mol

Synonyms:trisnorsqualene CA;trisnorsqualene cyclopropylamine

Chemical Property of Trisnorsqualene cyclopropylamine

Chemical Property:

• Vapor Pressure: 5.29E-11mmHg at 25°C
• Boiling Point: 522.2°Cat760mmHg
• Flash Point: 274.8°C
• PSA: 12.03000
• Density: 0.89g/cm³
• LogP: 9.78170
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 425.402150631
• Heavy Atom Count: 31
• Complexity: 633

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCCNC1CC1)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCCNC1CC1)/C)/C)C

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