4-(4-Ethylpiperazin-1-yl)aniline

HCID 936738

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Basic information

CAS: 115619-01-7
Standard SMILES: CCN1CCN(c2ccc(N)cc2)CC1
InChIKey: KEPUOYACJXZYTQ-UHFFFAOYSA-N
Molecular formula: C12H19N3
Average molar mass: 205.3 g/mol
Monoisotopic mass: 205.15789761

Names & identifiers

Preferred name: 4-(4-Ethylpiperazin-1-yl)aniline
IUPAC: 4-(4-ethylpiperazin-1-yl)aniline
English name: 4-(4-Ethylpiperazin-1-ly)aniline
Molecular formula: C12H19N3
Molecular weight: 205.3

Names & synonyms

115619-01-74-(4-ethylpiperazin-1-yl)anilineDTXSID30359078RefChem:514168DTXCID20310133985-330-14-(4-ethylpiperazin-1-yl)phenylamine4-(4-ethylpiperazino)aniline4-(4-Ethylpiperazin-1-ly)anilineBenzenamine, 4-(4-ethyl-1-piperazinyl)-MFCD007022464-(4-Ethyl-piperazin-1-yl)-phenylamine

Show more names

EOS-60925AKOS B021943AKOS BB-8659ART-CHEM-BB B021943TIMTEC-BB SBB0071324-(4-ethylpiperazino)phenylamine

4-(4-ethylpiperazinyl)phenylamineEN300-117604-(4-ethyl-piperazin-1-yl)phenylamine4-(4-ethyl-1-piperazinyl)aniline4-(4-ethylpiperazin-1-yl)benzenamineBionet2_000608Oprea1_616823MLS000856383

Database identifiers

CAS: 115619-01-7
PubChem CID: 936738
DTXSID: DTXSID30359078
ChEMBL: CHEMBL1370095
EC Number: 985-330-1

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 32.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 76 · 76-78°C
Boiling point: 364.4 · 364.4±37.0 °C(Predicted)
Density: 1.065 · 1.065±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 8.05 · 8.05±0.10(Predicted)
Appearance: Brown to black Solid
CAS DataBase Reference: 115619 · 115619-01-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
RIDADR: 3259 · 3259
HazardClass: IRRITANT
PackingGroup: Ⅲ
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 3259
hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
packing_group: Ⅲ
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313