1-(2-Nitrophenyl)piperazine

HCID 100949

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Basic information

CAS: 59084-06-9
Standard SMILES: O=[N+]([O-])c1ccccc1N1CCNCC1
InChIKey: YJRCDSXLKPERNV-UHFFFAOYSA-N
Molecular formula: C10H13N3O2
Average molar mass: 207.23 g/mol
Monoisotopic mass: 207.10077667

Names & identifiers

Preferred name: 1-(2-Nitrophenyl)piperazine
IUPAC: 1-(2-nitrophenyl)piperazine
English name: 1-(2-Nitrophenyl)piperazine
Molecular formula: C10H13N3O2
Molecular weight: 207.23

Names & synonyms

1-(2-Nitrophenyl)piperazine59084-06-9EINECS 261-593-1DTXSID102078261-{2-nitrophenyl}piperazineRefChem:422577DTXCID60130317261-593-11-(2-Nitro-phenyl)-piperazineMFCD00040728(2-nitrophenyl)piperazine1-(2-nitrophenyl)-piperazine

Show more names

Nitrophenylpiperazine1-(2-Nitrophenyl)piperazine 98%1-(2-Nitrophenyl)piperazine ,92%1-(2-Nitrophenyl)piperazine ,98%1-Nitro-2-(1-piperazinyl)benzene1-(2-Nitrophenyl)piperazine, 95%,1-(2-Nitrophenyl)piperazine, 97.5%1-(2-nitrophenyl)piperazine - [N92813]

Piperazine, 1-(2-nitrophenyl)-EN300-086054-(nitrophenyl)piperazine85SLJ43EKEN-(2-Nitrophenyl)piperazineOprea1_325650N-(2-nitrophenyl)-piperazineSCHEMBL113133

Database identifiers

CAS: 59084-06-9
PubChem CID: 100949
DTXSID: DTXSID10207826
UNII: 85SLJ43EKE
EC Number: 261-593-1
Nikkaji: J308.611I

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 61.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 223

Physicochemical properties

Boiling point: 142 · 142-144°C 1mm
Density: 1.222 · 1.222±0.06 g/cm3(Predicted)
refractive index: 1.608 to · 1.6080 to 1.6120
storage temp.: 2 · 2-8°C, protect from light
pka: 8.73 · 8.73±0.10(Predicted)
form: clear liquid
color: Orange to Red
InChI: 1S/C10H13N3O2/c14-13(15)10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKey: YJRCDSXLKPERNV-UHFFFAOYSA-N
SMILES: [N+](=O)([O-])c1c(cccc1)N2CCNCC2
CAS DataBase Reference: 59084 · 59084-06-9(CAS DataBase Reference)
FDA UNII: 85 SLJ43EKE · 85SLJ43EKE
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HazardClass: IRRITANT-HARMFUL
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2