1-(3-Nitropyridin-2-yl)piperazine

HCID 3778834CAS 87394-48-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cccnc1N1CCNCC1
InChIKey: HSAKGWZDXDRYTB-UHFFFAOYSA-N
Molecular formula: C9H12N4O2
Average molar mass: 208.22 g/mol
Monoisotopic mass: 208.09602562

Names & identifiers

Preferred name: 1-(3-Nitropyridin-2-yl)piperazine
IUPAC: 1-(3-nitro-2-pyridinyl)piperazine
English name: 1-(3-Nitorpyridin-2-yl)piperazine
Molecular formula: C9H12N4O2
Molecular weight: 208.22

Names & synonyms

1-(3-nitropyridin-2-yl)piperazine87394-48-7DTXSID50396304RefChem:224581DTXCID403471631-(3-Nitorpyridin-2-yl)piperazine1-(3-nitro-2-pyridyl)piperazine1-(3-nitro-2-pyridinyl)piperazine1-(3-Nitro-pyridin-2-yl)-piperazine1-(3-nitro-pyridin-2-yl)piperazineMFCD05182227CHEMBL296653

Show more names

1-(3-Nitro-2-pyridyl)piperazine, 97%piperazine, 1-(3-nitro-2-pyridinyl)-1-(3-Nitropyridin-2-yl)piperazine ,97%1-(3-nitropyridin-2-yl)piperazine dihydrochloride1-(3-Nitorpyridin-2-yl)piperazine ISO 9001：2015 REACH

SCHEMBL2898307piperazine, 1-(3-nitro-2-pyridinyl)-, dihydrochloride1-(3-Nitorpyridin-2-yl)piperazine2-yl)piperazineDTXSID50396(3-nitro-2-pyridyl)piperazineHSAKGWZDXDRYTB-UHFFFAOYSA-NALBB-0130822-(1-Piperazinyl)-3-nitropyridine

Database identifiers

CAS: 87394-48-7
PubChem CID: 3778834
DTXSID: DTXSID50396304
ChEMBL: CHEMBL296653
EC Number: 674-717-8
Nikkaji: J1.800.321J

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 74 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 84 · 84-86
Boiling point: 387.8 · 387.8±37.0 °C(Predicted)
Density: 1.278 · 1.278±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.25 · 8.25±0.10(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37
HazardClass: IRRITANT
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.