1-[2-(4-Pyridinyl)ethyl]piperazine

HCID 558685CAS 53345-16-7

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Basic information

Standard SMILES: c1cc(CCN2CCNCC2)ccn1
InChIKey: PXJMEKXBONLMNG-UHFFFAOYSA-N
Molecular formula: C11H17N3
Average molar mass: 191.27 g/mol
Monoisotopic mass: 191.14224756

Names & identifiers

Preferred name: 1-[2-(4-Pyridinyl)ethyl]piperazine
IUPAC: 1-(2-pyridin-4-ylethyl)piperazine
English name: Piperazine, 1-[2-(4-pyridinyl)ethyl]- (9CI)
Molecular formula: C11H17N3
Molecular weight: 191.27

Names & synonyms

53345-16-71-[2-(4-Pyridinyl)ethyl]piperazine1-(2-(4-Pyridinyl)ethyl)piperazineRefChem:2230561-[2-(pyridin-4-yl)ethyl]piperazine1-(2-pyridin-4-ylethyl)piperazine1-(2-(Pyridin-4-yl)ethyl)piperazine1-(2-Pyridin-4-yl-ethyl)-piperazineMFCD030945841-(2-(4-pyridylethyl))piperazine1-[2-(4-pyridyl)ethyl]piperazinePiperazine, 1-[2-(4-pyridinyl)ethyl]- (9CI)

Show more names

4-[2-(Piperazin-1-yl)ethyl]pyridinePiperazine, 1-[2-(4-pyridinyl)ethyl]-1-[2-(Pyridin-4-yl)ethyl]piperazine97%

1-(2-Pyridin-4-yl-ethyl)piperazine(2-(4-pyridyl)ethyl)piperazine1-[2-(4-pyridylethyl)]piperazine1-(2-(4-Pyridylethyl))-PiperazineSCHEMBL1935424SCHEMBL4576469DTXSID301296437ALBB-005748

Database identifiers

CAS: 53345-16-7
PubChem CID: 558685
DTXSID: DTXSID301296437
EC Number: 673-689-4

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 323.9 · 323.9±27.0 °C(Predicted)
Density: 1.033 · 1.033±0.06 g/cm3(Predicted)
pka: 9.16 · 9.16±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P280-P312
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.