Tert-butyl 11-aminoundecanoate
Basic information
- CAS
220851-29-6- Standard SMILES
CC(C)(C)OC(=O)CCCCCCCCCCN- InChIKey
LEMMJNALIIDDRY-UHFFFAOYSA-N- Molecular formula
- C15H31NO2
- Average molar mass
- 257.41 g/mol
- Monoisotopic mass
- 257.23547923
Names & identifiers
- Preferred name
- Tert-butyl 11-aminoundecanoate
- IUPAC
- tert-butyl 11-aminoundecanoate
- English name
- 11-amino- Undecanoic acid, 1,1-dimethylethyl ester
- Molecular formula
- C15H31NO2
- Molecular weight
- 257.41
Names & synonyms
tert-Butyl 11-aminoundecanoate220851-29-6RefChem:892126850-588-5MFCD3172930511-amino- Undecanoic acid, 1,1-dimethylethyl esterorb1218422orb1307280SCHEMBL7697296LEMMJNALIIDDRY-UHFFFAOYSA-Ntert-Butyl 11-aminoundecanoate #s1814
Show more names
Undecanoic acid, 11-amino-, 1,1-dimethylethyl estertertButyl 11aminoundecanoate,linker,PEG,PROTAC Linkers,tert Butyl 11 aminoundecanoate,Inhibitor,composition,inhibit,PROTAC
AKOS04074395011-Aminoundecanoic acid, t-butyl esterBS-52694DA-68058SY388714HY-130715CS-0112165F75905
Database identifiers
- CAS
220851-29-6- PubChem CID
- 545139
- EC Number
- 850-588-5
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 328.9 · 328.9±15.0 °C(Predicted)
- Density
- 0.908 · 0.908±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- Liquid
- pka
- 10.67 · 10.67±0.10(Predicted)
- color
- Colorless to light yellow
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Usestert-Butyl 11-aminoundecanoate (compound 6b) is a PROTAC linker, which refers to the PEG composition. tert-Butyl 11-aminoundecanoate can be used in the synthesis of a series of PROTACs. PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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