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Home> Hot Product Listed C   > Chlorodipiperidinocarbenium hexafluorophosphate
1187386-04-4 structure

Chlorodipiperidinocarbenium hexafluorophosphate

Iupac Name:1-(5-bromo-6-methylpyridin-2-yl)piperazine;hydrochloride
CAS No.:1187386-04-4
Molecular Weight:292.605
Molecular Formula:C9H17NO3 (isomer)
Names and Identifiers
Synonyms

chloro-dipiperidinocarbenium hexafluorophosphate PIPCIU, Chloro-dipiperidinocarbenium hexafluorophosphate

Inchi
InChI=1S/C10H14BrN3.ClH/c1-8-9(11)2-3-10(13-8)14-6-4-12-5-7-14;/h2-3,12H,4-7H2,1H3;1H
InChkey
YDTHXIFPWDWGQJ-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC(=N1)N2CCNCC2)Br.Cl
Properties
Density
1.01
Boiling Point
162°C at 760 mmHg
Flash Point
100.4°C
Solubility
acetonitrile: 0.1 g/mL, clear, colorless
HS Code
2933990090
Storage temp
2-8°C
Safety and Handling
Safety
Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36WGK Germany 3 F 8-10-21
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:292.605g/mol
  • Molecular Formula:C9H17NO3
  • Compound Is Canonicalized:True
  • Exact Mass:291.014
  • Monoisotopic Mass:291.014
  • Complexity:182
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:28.2A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAEEAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHABQAAABqAjBFgQzsJPIEACg ASZiZACCgCkhAiQJmKA4ZLiIYOLAmJGUIAhokALIyjcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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