1-(4-Pyridyl)piperazine
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Basic information
- CAS
1008-91-9- Standard SMILES
c1cc(N2CCNCC2)ccn1- InChIKey
OQZBAQXTXNIPRA-UHFFFAOYSA-N- Molecular formula
- C9H13N3
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.11094742
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-(4-Pyridyl)piperazine
- IUPAC
- 1-pyridin-4-ylpiperazine
- English name
- 1-(4-Pyridyl)piperazine
- Molecular formula
- C9H13N3
- Molecular weight
- 163.22
Names & synonyms
1-(4-Pyridyl)piperazine1008-91-9DTXSID801435201-[4-pyridyl]piperazineRefChem:426022DTXCID7066011213-764-71-(pyridin-4-yl)piperazine1-Pyridin-4-yl-piperazine1-pyridin-4-ylpiperazine4-PiperazinopyridinePIPERAZINE, 1-(4-PYRIDINYL)-
Show more names
BUTTPARK 82\08-09Pyridyl)piperazinRARECHEM AH CK 01944-pyridyl piperazineLABOTEST-BB LT002331384-(1-Piperazino)pyridine1-(4-PYRIDINYL)PIPERAZINE
4-pyridylpiperazineMFCD000407451-(4-pyridyl)-piperazineEINECS 213-764-7(4-pyridyl)piperazine4-(4-pyridyl)piperazineCHEMBL339069BDBM50106393
Database identifiers
- CAS
1008-91-9- PubChem CID
- 70517
- DTXSID
DTXSID80143520- ChEMBL
CHEMBL339069- EC Number
- 213-764-7
- Nikkaji
- J217.122H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 137 · 137-141 °C
- Boiling point
- 195 · 195-200°C 0,3mm
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- Flash point
- 195 · 195-200°C/0.3mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 10.73 · 10.73±0.10(Predicted)
- color
- White to Light yellow
- Water Solubility
- Soluble in water.
- Sensitive
- Air Sensitive
- BRN
- 609705 · 609705
- Stability
- Air Sensitive
- InChI
- 1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
- InChIKey
- OQZBAQXTXNIPRA-UHFFFAOYSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-34
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3259 8/PG 2
- hs_code
- 29335990
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-36-37/38/39
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses1-(4-Pyridyl)piperazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is also used to produce 1-pyridin-4-yl-4-(4-vinyl-benzyl)-piperazine with 1-(chloromethyl)-4-vinylbenzene by heating.
General Description1-(4-Pyridyl) piperazine (or 4-Piperazinopyridine) is an active structural component that is used as a building block to prepare various medicinally important active molecules.
Upstream & downstream products
Upstream raw materials
Related reactions
235 records
Compound notes
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