Basic information
- CAS
324531-31-9- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1- InChIKey
PWSIXGPDJIEVBT-UHFFFAOYSA-N- Molecular formula
- C13H19N3O3S
- Average molar mass
- 297.38 g/mol
- Monoisotopic mass
- 297.11471265
Names & identifiers
- Preferred name
- 1-[(4-Methylphenyl)sulfonyl]piperidine-4-carbohydrazide
- IUPAC
- 1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
- English name
- 1-[(4-Methylphenyl)sulfonyl]-4-piperidinecarbohydrazide
- Molecular formula
- C13H19N3O3S
- Molecular weight
- 297.37
Names & synonyms
324531-31-91-[(4-methylphenyl)sulfonyl]piperidine-4-carbohydrazide1-Tosylpiperidine-4-carbohydrazide1-[(4-methylphenyl)sulfonyl]-4-piperidinecarbohydrazide1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazideMFCD007594931-(4-methylbenzenesulfonyl)piperidine-4-carbohydrazideDTXSID50353270Oprea1_514901Oprea1_700888ALBB-002818BBL013441
Show more names
BAS 00602895ZINC001684121-(4-methylphenyl)sulfonylisonipecotohydrazide1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid hydrazide4-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, hydrazide
STK402077AKOS000590354ST45074129EN300-099281-(p-tolylsulfonyl)piperidine-4-carbohydrazideG191582R-1304Z56346880
Database identifiers
- CAS
324531-31-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Melting point
- 134 · 134-137°C
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 12.96 · 12.96±0.20(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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