Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester

Base Information

• Chemical Name: Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester
• CAS No.: 68084-20-8
• Molecular Formula: C12H25NO4
• Molecular Weight: 247.3312
• European Community (EC) Number: 268-431-9
• DSSTox Substance ID: DTXSID2071073
• Nikkaji Number: J289.037B
• Wikidata: Q81998576
• Mol file: 68084-20-8.mol

Synonyms:68084-20-8;2,2-Bis(hydroxymethyl)butyl 6-aminohexanoate;Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester;EINECS 268-431-9;DTXSID2071073;6-Aminohexanoic acid 2,2-bis(hydroxymethyl)butyl ester

Chemical Property of Hexanoic acid, 6-amino-, 2,2-bis(hydroxymethyl)butyl ester

Chemical Property:

• Vapor Pressure: 2.8E-06mmHg at 25°C
• Boiling Point: 349.6°Cat760mmHg
• Flash Point: 165.2°C
• PSA: 92.78000
• Density: 1.08g/cm³
• LogP: 1.13000
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 247.17835828
• Heavy Atom Count: 17
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)(CO)COC(=O)CCCCCN