2-(((1,2-Benzisothiazol-3-yloxy)methyl)butylamino)ethanol

Base Information

• Chemical Name: 2-(((1,2-Benzisothiazol-3-yloxy)methyl)butylamino)ethanol
• CAS No.: 94087-25-9
• Molecular Formula: C14H20 N2 O2 S
• Molecular Weight: 280.3858
• European Community (EC) Number: 301-918-7
• UNII: CLD53YB4XS
• DSSTox Substance ID: DTXSID50240414
• Nikkaji Number: J368.037A
• Wikidata: Q83123262
• Mol file: 94087-25-9.mol

Synonyms:94087-25-9;CLD53YB4XS;2-(((1,2-Benzisothiazol-3-yloxy)methyl)butylamino)ethanol;EINECS 301-918-7;UNII-CLD53YB4XS;2-[[(1,2-BENZISOTHIAZOL-3-YLOXY)METHYL]BUTYLAMINO]ETHANOL;DTXSID50240414;2-(1,2-BENZOTHIAZOL-3-YLOXYMETHYL(BUTYL)AMINO)ETHANOL;ETHANOL, 2-(((1,2-BENZISOTHIAZOL-3-YLOXY)METHYL)BUTYLAMINO)-

Chemical Property of 2-(((1,2-Benzisothiazol-3-yloxy)methyl)butylamino)ethanol

Chemical Property:

• Vapor Pressure: 2.25E-06mmHg at 25°C
• Boiling Point: 377.6°Cat760mmHg
• Flash Point: 182.2°C
• PSA: 73.83000
• Density: 1.197g/cm³
• LogP: 2.72700
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 280.12454906
• Heavy Atom Count: 19
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCO)COC1=NSC2=CC=CC=C21