1-[2-(2-Tert-butyl-5-methylphenoxy)ethyl]-3-methylpiperidine
Basic information
- CAS
1008233-79-1- Standard SMILES
Cc1ccc(C(C)(C)C)c(OCCN2CCCC(C)C2)c1- InChIKey
PICXSYRGOPRWNV-UHFFFAOYSA-N- Molecular formula
- C19H31NO
- Average molar mass
- 289.5 g/mol
- Monoisotopic mass
- 289.24056461
Names & identifiers
- Preferred name
- 1-[2-(2-Tert-butyl-5-methylphenoxy)ethyl]-3-methylpiperidine
- IUPAC
- 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-3-methylpiperidine
- English name
- 1-[2-[2-(1,1-Dimethylethyl)-5-methylphenoxy]ethyl]-3-methylpiperidine
- Molecular formula
- C19H31NO
- Molecular weight
- 289.46
Names & synonyms
1008233-79-11-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-3-methylpiperidine1-(2-(2-tert-butyl-5-methylphenoxy)ethyl)-3-methylpiperidineRefChem:421039841-509-5SORT-PGRN interaction inhibitor 2orb1943638SCHEMBL30339057FT168393HY-153687CS-0834853T81126
Show more names
1-[2-[2-(1,1-Dimethylethyl)-5-methylphenoxy]ethyl]-3-methylpiperidine
1-[2-(2-t-butyl-5-methylphenoxy)-ethyl]-3-methylpiperidine
Database identifiers
- CAS
1008233-79-1- PubChem CID
- 2934243
- EC Number
- 841-509-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 394.3 · 394.3±37.0 °C(Predicted)
- Density
- 0.944 · 0.944±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 8.74 · 8.74±0.10(Predicted)
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
UsesSORT-PGRN interaction inhibitor 2 is a SORT-PGRN inhibitor that can decreases SORT1 protein expression and increases extracellular PGRN secretion in mammalian cell lines. SORT-PGRN interaction inhibitor 2 can be used for neurological disease research[1].
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Compound notes
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