ethyl (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylate

Base Information

• Chemical Name: ethyl (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylate
• CAS No.: 16100-91-7
• Molecular Formula: C₁₂H₂₁NO₂
• Molecular Weight: 211.304
• DSSTox Substance ID: DTXSID201155395
• Nikkaji Number: J2.598.080H
• Mol file: 16100-91-7.mol

Synonyms:16100-91-7;DTXSID201155395;2H-Quinolizine-1-carboxylic acid, octahydro-, ethyl ester, (1R-trans)-

Chemical Property of ethyl (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.157228913
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1CCCN2C1CCCC2
• Isomeric SMILES: CCOC(=O)[C@@H]1CCCN2[C@@H]1CCCC2