Otonecine

Base Information

• Chemical Name: Otonecine
• CAS No.: 6887-34-9
• Molecular Formula: C9H15NO3
• Molecular Weight: 185.2203
• DSSTox Substance ID: DTXSID001022079
• Metabolomics Workbench ID: 70405
• Nikkaji Number: J958.867A
• Wikidata: Q27107590
• Mol file: 6887-34-9.mol

Synonyms:oto-necine;otonecine

Chemical Property of Otonecine

Chemical Property:

• Vapor Pressure: 1.14E-07mmHg at 25°C
• Boiling Point: 389.3°Cat760mmHg
• Flash Point: 189.3°C
• PSA: 60.69000
• Density: 1.184g/cm³
• LogP: -1.22270
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 185.10519334
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

98% ^*data from raw suppliers

Otonecine ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC(C(=O)C(=CC1)CO)O
• Isomeric SMILES: CN1CC[C@H](C(=O)/C(=C\C1)/CO)O