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Home> Hot Product Listed P   > Piperidine,1-[2-([1,1'-bicyclohexyl]-1-yloxy)ethyl]-, hydrochloride (1:1)
21187-98-4 structure

Piperidine,1-[2-([1,1'-bicyclohexyl]-1-yloxy)ethyl]-, hydrochloride (1:1)

Iupac Name:1-(3,3a,4,5,6,
6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea
CAS No.:21187-98-4
Molecular Weight:323.41054
Molecular Formula:C21H29NA2O8P (isomer)
Names and Identifiers
Synonyms

1-(2-((1-cyclohexylcyclohexyl)oxy)ethyl)piperidine hydrochloride 1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine hcl CTK8G4468 DTXSID50144726 HE176430 j.l. 1279 johzootydoqhkc-uhfffaoysa-n LS-114907 piperidine, 1-(2-((1-cyclohexylcyclohexyl)oxy)ethyl)-, hydrochloride Piperidine,1-[2-(1-cyclohexylcyclohexyloxy)ethyl]-, hydrochloride (6CI)

Inchi
InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)
InChkey
BOVGTQGAOIONJV-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2
Properties
Density
0.883g/cm3
Melting Point
163-169℃
Boiling Point
459.5°C at 760 mmHg
Refractive Index
1.623
Flash Point
238°C
Safety and Handling
Risk Statements
R21
Safety Statements
25-26-36/37-53
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:323.41054g/mol
  • Molecular Formula:C21H29NA2O8P
  • XLogP3-AA:1.5
  • Exact Mass:323.130362
  • Monoisotopic Mass:323.130362
  • Complexity:497
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:86.9
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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