1,3-Benzodioxolyl-N-ethylbutanamine

Base Information

• Chemical Name: 1,3-Benzodioxolyl-N-ethylbutanamine
• CAS No.: 167394-39-0
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.30
• UNII: 5Y22MYG54G
• DSSTox Substance ID: DTXSID90436778
• Nikkaji Number: J1.232.626B
• Wikipedia: 1,3-Benzodioxolyl-N-ethylbutanamine
• Wikidata: Q4545670
• Mol file: 167394-39-0.mol

Synonyms:167394-39-0;1,3-Benzodioxolyl-N-ethylbutanamine;N-Ethyl-1-(3,4-methylenedioxyphenyl)-2-butanamine;1-(1,3-benzodioxol-5-yl)-N-ethylbutan-2-amine;5Y22MYG54G;ETHYLBENZODIOXOLYLBUTANAMINE;1,3-Benzodioxole-5-ethanamine, N,alpha-diethyl-;EBDB;ETHYL-J;UNII-5Y22MYG54G;SCHEMBL20975646;DTXSID90436778;AKOS015912073;N-Ethyl-1-(1,3-benzodioxole-5-yl)-2-butanamine;Q4545670;1,3-BENZODIOXOLE-5-ETHANAMINE, N,.ALPHA.-DIETHYL-

Chemical Property of 1,3-Benzodioxolyl-N-ethylbutanamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 176-177 °C
• Refractive Index: 1.526
• Boiling Point: 315.841 °C at 760 mmHg
• PKA: 10.52±0.19(Predicted)
• Flash Point: 130.851 °C
• PSA: 30.49000
• Density: 1.061 g/cm³
• LogP: 2.73680
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC1=CC2=C(C=C1)OCO2)NCC