Australine

Base Information

• Chemical Name: Australine
• CAS No.: 118396-02-4
• Molecular Formula: C8H15 N O4
• Molecular Weight: 225.67
• DSSTox Substance ID: DTXSID00922672
• Nikkaji Number: J511.965K
• Wikidata: Q27105887
• Metabolomics Workbench ID: 127346
• ChEMBL ID: CHEMBL2219815
• Mol file: 118396-02-4.mol

Synonyms:1-epialexine hemihydrate;3-(hydroxymethyl)-1,2,7-trihydroxypyrrolizidine;7-epialexine;alexine;australine

Chemical Property of Australine

Chemical Property:

• Vapor Pressure: 1.03E-08mmHg at 25°C
• Melting Point: 148-149℃ (acetone )
• Boiling Point: 417.4°Cat760mmHg
• Flash Point: 263.5°C
• PSA: 84.16000
• Density: 1.53g/cm³
• LogP: -1.74220
• Storage Temp.: 0-6°C
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 189.10010796
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

95%-98% ^*data from raw suppliers

Australine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2C(C(C(C2C1O)O)O)CO
• Isomeric SMILES: C1CN2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CO