Basic information
- CAS
16017-64-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1- InChIKey
GJAGYOKCNZTDQN-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3S
- Average molar mass
- 284.38 g/mol
- Monoisotopic mass
- 284.11946368
Names & identifiers
- Preferred name
- 2-(4-Tosylpiperazin-1-yl)ethanol
- IUPAC
- 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
- English name
- 2-{4-[(4-methylphenyl)sulfonyl]piperazino}-1-ethanol
- Molecular formula
- C13H20N2O3S
- Molecular weight
- 284.37
Names & synonyms
16017-64-42-(4-tosylpiperazin-1-yl)ethanol2-{4-[(4-methylphenyl)sulfonyl]piperazino}-1-ethanolMFCD001937072-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethan-1-ol2-[4-(4-Methylbenzene-1-sulfonyl)piperazin-1-yl]ethan-1-ol4-(2-hydroxyethyl)-1-[(4-methylphenyl)sulfonyl]piperazine1-piperazineethanol, 4-[(4-methylphenyl)sulfonyl]-Oprea1_121216Oprea1_762416AE-641/05078006
Show more names
CHEMBL255745SCHEMBL10974483DTXSID80355308HMS5161M18SBB041156STK038103AKOS000269578MB-0722
Database identifiers
- CAS
16017-64-4- PubChem CID
- 796342
- DTXSID
DTXSID80355308- ChEMBL
CHEMBL255745
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 130 · 130-132°
- Boiling point
- 452.3 · 452.3±55.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.96 · 14.96±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…