Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester

Base Information

• Chemical Name: Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester
• CAS No.: 68385-70-6
• Molecular Formula: C16H29NO4
• Molecular Weight: 299.4058
• DSSTox Substance ID: DTXSID30987936
• Nikkaji Number: J18.657K
• Mol file: 68385-70-6.mol

Synonyms:Curassavine;68385-70-6;Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate;DTXSID30987936;AKOS040734532;82398-74-1;(Hexahydro-1H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate

Chemical Property of Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester

Chemical Property:

• Vapor Pressure: 4.67E-09mmHg at 25°C
• Boiling Point: 426.4°Cat760mmHg
• Flash Point: 211.7°C
• PSA: 70.00000
• Density: 1.14g/cm³
• LogP: 1.10980
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 299.20965841
• Heavy Atom Count: 21
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

Curassavine ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O