1-(2-Ethoxyphenyl)piperazine

HCID 83357

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Basic information

CAS: 13339-01-0
Standard SMILES: CCOc1ccccc1N1CCNCC1
InChIKey: FBQIUSDQWOLCNY-UHFFFAOYSA-N
Molecular formula: C12H18N2O
Average molar mass: 206.28 g/mol
Monoisotopic mass: 206.1419132

Names & identifiers

Preferred name: 1-(2-Ethoxyphenyl)piperazine
IUPAC: 1-(2-ethoxyphenyl)piperazine
English name: 1-(2-Ethoxyphenyl)piperazine
Molecular formula: C12H18N2O
Molecular weight: 206.28

Names & synonyms

1-(2-Ethoxyphenyl)piperazine13339-01-01-(2-Ethoxy-phenyl)-piperazineMFCD01026120CHEMBL273923Piperazine,1-(2-ethoxyphenyl)-H04EINECS 236-389-0Oprea1_3565704(2-eth-oxyphenyl)piperazine2-ethoxy-1-piperazinylbenzeneSCHEMBL219349

Show more names

EhoxyphenylpiperazineLABOTEST-BB LT002331651-(2-Ehoxyphenyl)-piperazinePiperazine, 1-(2-ethoxyphenyl)-1-(2-Ethoxyphenyl)piperazine 97%

SCHEMBL255189N-(2-ethoxyphenyl)-piperazine1-(2-ethoxyphenyl)-piperazineSCHEMBL7524534SCHEMBL7524539N-(2-ethyoxyphenyl)-piperazine1-(2-Ethoxyphenyl)piperazine #DTXSID40928092

Database identifiers

CAS: 13339-01-0、83081-75-8
PubChem CID: 83357
DTXSID: DTXSID40928092
ChEMBL: CHEMBL273923
EC Number: 236-389-0、280-190-1
Nikkaji: J213.856E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 24.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 118 °C · 118 °C
Density: 1.04 · 1.040±0.06 g/cm3(Predicted)
pka: 8.98 · 8.98±0.10(Predicted)
CAS DataBase Reference: 13339 · 13339-01-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Acute Tox. 4 (50%)

Safety data

risk_code: 36/37/38-36-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362