3-(Piperidin-1-ylmethoxy)-1,2-benzisothiazole

Base Information

• Chemical Name: 3-(Piperidin-1-ylmethoxy)-1,2-benzisothiazole
• CAS No.: 94087-34-0
• Molecular Formula: C13H16 N2 O S
• Molecular Weight: 248.34394
• European Community (EC) Number: 301-928-1
• DSSTox Substance ID: DTXSID20240421
• Nikkaji Number: J368.046K
• Wikidata: Q83123273
• Mol file: 94087-34-0.mol

Synonyms:3-(Piperidin-1-ylmethoxy)-1,2-benzisothiazole;94087-34-0;EINECS 301-928-1;DTXSID20240421;HJXUOFPXICRUTQ-UHFFFAOYSA-N;NS00039977

Chemical Property of 3-(Piperidin-1-ylmethoxy)-1,2-benzisothiazole

Chemical Property:

• Vapor Pressure: 0.000297mmHg at 25°C
• Boiling Point: 321.5°Cat760mmHg
• Flash Point: 148.2°C
• PSA: 53.60000
• Density: 1.218g/cm³
• LogP: 3.05640
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 248.09833431
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)COC2=NSC3=CC=CC=C32

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