tert-Butyl 2-(pyridin-4-yl)acetate
Basic information
- CAS
79757-20-3- Standard SMILES
CC(C)(C)OC(=O)Cc1ccncc1- InChIKey
ODMCVWPUMALJPO-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- tert-Butyl 2-(pyridin-4-yl)acetate
- IUPAC
- tert-butyl 2-pyridin-4-ylacetate
- English name
- Tert-butyl 2-(pyridin-4-yl)acetate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
tert-Butyl 2-(pyridin-4-yl)acetate79757-20-3DTXSID00459771RefChem:383183DTXCID10410590Pyridin-4-yl-acetic acid tert-butyl esterTert-butyl 2-pyridin-4-ylacetateMFCD22565620tert-butyl 2-(4-pyridyl)acetatetert-Butyl (pyridin-4-yl)acetatetert-Butyl2-(pyridin-4-yl)acetateAKOS018720371
Show more names
4-Pyridineacetic acid, 1,1-dimethylethyl ester
SB53238AS-54952CS-0455896W11474
Database identifiers
- CAS
79757-20-3- PubChem CID
- 11240971
- DTXSID
DTXSID00459771- Nikkaji
- J1.953.328J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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