Neodihydrohistrionicotoxin

Base Information

• Chemical Name: Neodihydrohistrionicotoxin
• CAS No.: 55475-52-0
• Molecular Formula: C19H27 N O
• Molecular Weight: 285.42
• Nikkaji Number: J3.138.057J
• Mol file: 55475-52-0.mol

Synonyms:Neodihydrohistrionicotoxin;55475-52-0;1-Azaspiro(5.5)undecan-8-ol, 7-(1,3-butadienyl)-2-(2-penten-4-ynyl)-, (6R-(6alpha(2S*(Z)),7beta(Z),8alpha))-;7-[(1Z)-1,3-Butadienyl]-2-[(2Z)-2-penten-4-ynyl]-1-azaspiro[5.5]undeca N-8-ol;(2S,6R)-2alpha-[(Z)-2-Pentene-4-ynyl]-7alpha-[(Z)-1,3-butadienyl]-1-azaspiro[5.5]undecane-8beta-ol

Chemical Property of Neodihydrohistrionicotoxin

Chemical Property:

• Vapor Pressure: 1.6E-08mmHg at 25°C
• Boiling Point: 412.4°C at 760 mmHg
• Flash Point: 79.6°C
• PSA: 32.26000
• Density: 1.02g/cm³
• LogP: 3.67880
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 285.209264485
• Heavy Atom Count: 21
• Complexity: 455

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC=CC1C(CCCC12CCCC(N2)CC=CC#C)O
• Isomeric SMILES: C=C/C=C\[C@@H]1[C@H](CCC[C@]12CCC[C@H](N2)C/C=C\C#C)O

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