Basic information
- CAS
206879-65-4- Standard SMILES
CC(=O)N1CCN(c2cccc(N)c2)CC1- InChIKey
ZDNZOUXIQFHVEP-UHFFFAOYSA-N- Molecular formula
- C12H17N3O
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.13716216
Names & identifiers
- Preferred name
- 1-[4-(3-Aminophenyl)piperazin-1-yl]ethan-1-one
- IUPAC
- 1-[4-(3-aminophenyl)piperazin-1-yl]ethanone
- English name
- 1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone
- Molecular formula
- C12H17N3O
- Molecular weight
- 219.28
Names & synonyms
206879-65-41-[4-(3-Aminophenyl)piperazin-1-yl]ethan-1-oneDTXSID404558381-(4-(3-Aminophenyl)piperazin-1-yl)ethan-1-oneRefChem:224701DTXCID30406657825-810-91-[4-(3-aminophenyl)piperazin-1-yl]ethanoneEthanone, 1-[4-(3-aminophenyl)-1-piperazinyl]-MFCD097575221-(4-(3-aminophenyl)piperazin-1-yl)ethanone3-(4-Acetyl-piperazin-1-yl)aniline
Show more names
SCHEMBL2648561TQR916ZDNZOUXIQFHVEP-UHFFFAOYSA-N3-(1-acetylpiperazin-4-yl)aniline3-(4-Acetyl-1-piperazinyl)-anilineAKOS005256303MS-20299DB-066297
Database identifiers
- CAS
206879-65-4- PubChem CID
- 11117539
- DTXSID
DTXSID40455838- EC Number
- 825-810-9
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
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 127 · 127-129 °C
- Boiling point
- 462.4 · 462.4±40.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- 5.35 · 5.35±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H303-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P312-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H303-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P312-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers7 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
曦锐生物(苏州)有限公司15051477682 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
13 records
Compound notes
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