Basic information
- CAS
4004-96-0- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1- InChIKey
UUVXQOJRYRAKLO-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12454906
Overview
See also: 4-Phenyl-1-(p-tolylsulfonyl)piperazine (annotation moved to).
Names & identifiers
- Preferred name
- 4-Phenyl-1-(p-tolylsulphonyl)piperazine
- IUPAC
- 1-(4-methylphenyl)sulfonyl-4-phenylpiperazine
- English name
- 4-phenyl-1-(p-tolylsulphonyl)piperazine
- Molecular formula
- C17H20N2O2S
- Molecular weight
- 316.42
Names & synonyms
4004-96-01-phenyl-4-tosylpiperazine1-[(4-methylphenyl)sulfonyl]-4-phenylpiperazine4-Phenyl-1-(p-tolylsulphonyl)piperazine1-(4-METHYLBENZENESULFONYL)-4-PHENYLPIPERAZINECHEMBL1267311-Phenyl-4-(toluene-4-sulfonyl)-piperazine1-(4-Methylbenzene-1-sulfonyl)-4-phenylpiperazine1-(4-methylphenyl)sulfonyl-4-phenylpiperazine1-((4-METHYLPHENYL)SULFONYL)-4-PHENYLPIPERAZINEEINECS 223-655-6Cambridge id 5344268
Show more names
1-Tosyl-4-phenylpiperazine1-(p-Tolylsulfonyl)-4-phenylpiperazinePiperazine, 1-(4-methylphenyl)sulfonyl-4-phenyl-
Oprea1_061866Oprea1_696896MLS001208145SCHEMBL10722295DTXSID30960502UUVXQOJRYRAKLO-UHFFFAOYSA-NHMS2848D09BDBM50001419
Database identifiers
- CAS
4004-96-0- PubChem CID
- 77620
- DTXSID
DTXSID30960502- ChEMBL
CHEMBL126731- EC Number
- 223-655-6
- Nikkaji
- J217.822B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Experimental & physicochemical properties
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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