Basic information
- CAS
31188-99-5- Standard SMILES
CC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1- InChIKey
HFHLKKYWNAOHCI-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
- IUPAC
- 2-(4-acetylphenoxy)-1-piperidin-1-ylethanone
- English name
- 4’-piperidinocarbonylmethoxy-acetophenon
- Molecular formula
- C15H19NO3
- Molecular weight
- 261.32
Names & synonyms
31188-99-54'-PiperidinylcarbonylmethoxyacetophenoneDTXSID7048829BKS66N52XQDTXCID40287552-(4-ACETYLPHENOXY)-1-(1-PIPERIDINYL)ETHANONERefChem:10611592-(4-acetylphenoxy)-1-(piperidin-1-yl)ethan-1-one2-(4-acetylphenoxy)-1-piperidin-1-ylethanoneACETOPHENONE, 4'-PIPERIDINOCARBONYLMETHOXY-2-(4-acetylphenoxy)-1-(piperidin-1-yl)ethanoneNCGC00183022-01
Show more names
1-[(4-Acetylphenoxy)acetyl]piperidine4’-piperidinocarbonylmethoxy-acetophenon4’-piperidinylcarbonylmethoxyacetophenone4'-(Piperidinocarbonylmethoxy)acetophenoneEthanone, 2-(4-acetylphenoxy)-1-(1-piperidinyl)-
1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethanoneBRN 12891731-(2-(p-Acetylphenoxy)acetyl)piperidinePiperidine, 1-(2-(p-acetylphenoxy)acetyl)-Ethanone,2-(4-acetylphenoxy)-1-(1-piperidinyl)-4'-piperidinocarbonylmethoxy-acetophenonUNII-BKS66N52XQCHEMBL3185978
Database identifiers
- CAS
31188-99-5- PubChem CID
- 35751
- DTXSID
DTXSID7048829- ChEMBL
CHEMBL3185978- UNII
- BKS66N52XQ
- EC Number
- 119-467-8
- Nikkaji
- J55.057D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 468.1 · 468.1±25.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- -0.9 · -0.90±0.20(Predicted)
- FDA UNII
- 66 N52XQ · BKS66N52XQ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…