1-Hexadecanesulfonic acid, 2-[(2-chlorophenyl)-1-piperidinylmethylene]hydrazide
Basic information
- CAS
18118-66-6- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)NN=C(c1ccccc1Cl)N1CCCCC1- InChIKey
BRRMAQWVYIJRQU-UHFFFAOYSA-N- Molecular formula
- C28H48ClN3O2S
- Average molar mass
- 526.2 g/mol
- Monoisotopic mass
- 525.3155766
Names & identifiers
- Preferred name
- 1-Hexadecanesulfonic acid, 2-[(2-chlorophenyl)-1-piperidinylmethylene]hydrazide
- IUPAC
- N-[[(2-chlorophenyl)-piperidin-1-ylmethylidene]amino]hexadecane-1-sulfonamide
- English name
- 2'-(o-chloro-alpha-piperidinobenzylidene)hexadecane-1-sulphohydrazide
- Molecular formula
- C28H48ClN3O2S
- Molecular weight
- 526.22
Names & synonyms
1-Hexadecanesulfonic acid, 2-[(2-chlorophenyl)-1-piperidinylmethylene]hydrazide1-Hexadecanesulfonic acid, 2-((2-chlorophenyl)-1-piperidinylmethylene)hydrazideRefChem:432969DTXSID701136603NS00054000n'-[(2-chlorophenyl)(piperidin-1-yl)methylidene]hexadecane-1-sulfonohydrazideEinecs 242-009-42'-(o-Chloro-alpha-piperidinobenzylidene)hexadecane-1-sulfohydrazideN2-[(2-Chlorophenyl)piperidinomethylene]-1-hexadecanesulfonohydrazide2'-(o-chloro-alpha-piperidinobenzylidene)hexadecane-1-sulphohydrazide1-HEXADECANESULFONIC ACID (2-CHLORO-ALPHA-PIPERIDINOBENZYLIDENE)-HYDRAZIDE
Database identifiers
- CAS
18118-66-6- PubChem CID
- 86657
- DTXSID
DTXSID701136603
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 660
Physicochemical properties
- Boiling point
- 614.6 · 614.6±57.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 8.61 · 8.61±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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