Jasminine

Base Information

• Chemical Name: Jasminine
• CAS No.: 19634-30-1
• Molecular Formula: C11H12 N2 O3
• Molecular Weight: 220.22
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30331874
• Nikkaji Number: J15.401F
• Wikidata: Q27107037
• Metabolomics Workbench ID: 69368
• Mol file: 19634-30-1.mol

Synonyms:jasminine

Chemical Property of Jasminine

Chemical Property:

• Vapor Pressure: 5.92E-08mmHg at 25°C
• Boiling Point: 440.4°Cat760mmHg
• Flash Point: 220.1°C
• PSA: 71.78000
• Density: 1.224g/cm³
• LogP: 0.87740
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CN=CC(=C2CC(=O)N1)C(=O)OC
• Isomeric SMILES: C[C@H]1C2=CN=CC(=C2CC(=O)N1)C(=O)OC
• Description: A monoterpenoid alkaloid found in several fasminium species and also in Li~ustrum novoguineense, this base has been shown to possess the structure given from chemical and spectroscopic examination.