1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one

HCID 736269
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Basic information

CAS
92394-00-8
Standard SMILES
CC(=O)N1CCN(c2ccc(N)cc2)CC1
InChIKey
AFVUJJNEILZYJQ-UHFFFAOYSA-N
Molecular formula
C12H17N3O
Average molar mass
219.28 g/mol
Monoisotopic mass
219.13716216

Overview

1-[4-(4-aminophenyl)-1-piperazinyl]ethanone is a member of piperazines.

Names & identifiers

Preferred name
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
IUPAC
1-[4-(4-aminophenyl)piperazin-1-yl]ethanone
English name
1-[4-(4-Amino-phenyl)-piperazin-1-yl]-ethanone
Molecular formula
C12H17N3O
Molecular weight
219.28

Names & synonyms

92394-00-81-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one1-(4-(4-aminophenyl)piperazin-1-yl)ethan-1-oneDTXSID90352984RefChem:224713DTXCID30304048639-265-81-[4-(4-aminophenyl)piperazin-1-yl]ethanone1-acetyl-4-(4-aminophenyl)piperazine1-(4-(4-aminophenyl)piperazin-1-yl)ethanone4-(4-Acetylpiperazin-1-yl)anilineMFCD01365904
Show more names
AKOS BB-8665ASISCHEM Z45856TIMTEC-BB SBB007332ART-CHEM-BB B025630LABOTEST-BB LT00654234
4-(4-Acetyl-1-piperazinyl)aniline1-[4-(4-Amino-phenyl)-piperazin-1-yl]-ethanone1-[4-(4-Aminophenyl)piperazino]ethanone1-[4-(4-aminophenyl)-1-piperazinyl]Ethanone4-(4-Acetyl-piperazin-1-yl)aniline[4-(4-acetylpiperazin-1-yl)phenyl]amineTimTec1_007041Oprea1_693361

Database identifiers

CAS
92394-00-8
PubChem CID
736269
DTXSID
DTXSID90352984
ChEMBL
CHEMBL1700038
ChEBI
CHEBI:92497
EC Number
639-265-8
Nikkaji
J476.032H

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
49.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Boiling point
460.7 · 460.7±40.0 °C(Predicted)
Density
1.177 · 1.177±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
form
crystalline solid
pka
7.69 · 7.69±0.10(Predicted)
color
Very dark purple

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933599590
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Suppliers47 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Additional notes

DefinitionChEBI: 1-[4-(4-aminophenyl)-1-piperazinyl]ethanone is a member of piperazines.

Related reactions

100 records
New reaction record

Compound notes

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