4-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
Basic information
- CAS
565166-93-0- Standard SMILES
CC1CCCC(C)N1C(=O)COc1ccc(C(=O)O)cc1- InChIKey
KWQBRUAGAALBJS-UHFFFAOYSA-N- Molecular formula
- C16H21NO4
- Average molar mass
- 291.34 g/mol
- Monoisotopic mass
- 291.14705815
Names & identifiers
- Preferred name
- 4-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
- IUPAC
- 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
- English name
- 4-[2-(2,6-DIMETHYL-PIPERIDIN-1-YL)-2-OXO-ETHOXY]-BENZOIC ACID
- Molecular formula
- C16H21NO4
- Molecular weight
- 291.34
Names & synonyms
4-(2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethoxy)benzoic acid4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acidDTXSID40394874RefChem:517254DTXCID30345734107-494-8565166-93-04-[2-(2,6-Dimethylpiperidino)-2-oxo-ethoxy]benzoic acidMFCD039680364-(2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethoxy)benzoicacid4-[2-(2,6-Dimethyl-piperidin-1-yl)-2-oxo-ethoxy]-benzoic acidEnamine_004954
Show more names
4-[2-(2,6-Dimethyl-1-piperidinyl)-2-oxoethoxy]benzoic acidBenzoic acid, 4-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethoxy]-
HMS1408B04QXA16693AKOS000116561AKOS016843514SB43525IDI1_007541BS-29017SY133001
Database identifiers
- CAS
565166-93-0- PubChem CID
- 3671480
- DTXSID
DTXSID40394874- EC Number
- 107-494-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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