13-Azaprostanoic acid

Base Information

• Chemical Name: 13-Azaprostanoic acid
• CAS No.: 71629-07-7
• Molecular Formula: C19H37 N O2
• Molecular Weight: 311.5
• DSSTox Substance ID: DTXSID80221872
• Nikkaji Number: J415.966G
• Wikidata: Q83099892
• ChEMBL ID: CHEMBL9811
• Mol file: 71629-07-7.mol

Synonyms:13-azaprostanoic acid;13-azaprostanoic acid, (cis)-isomer;13-azaprostanoic acid, (trans)-isomer

Chemical Property of 13-Azaprostanoic acid

Chemical Property:

• Vapor Pressure: 3.92E-09mmHg at 25°C
• Boiling Point: 444.3°C at 760 mmHg
• Flash Point: 222.5°C
• PSA: 49.33000
• Density: 0.95g/cm³
• LogP: 5.53120
• Storage Temp.: −20°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 311.282429423
• Heavy Atom Count: 22
• Complexity: 281

Purity/Quality:

13-APA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCNC1CCCC1CCCCCCC(=O)O
• Isomeric SMILES: CCCCCCCN[C@H]1CCC[C@@H]1CCCCCCC(=O)O

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