Basic information
- CAS
161117-83-5- Standard SMILES
COc1ncccc1NC(=O)OC(C)(C)C- InChIKey
SJYKVVNRRFYDSS-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609237
Names & identifiers
- Preferred name
- tert-Butyl (2-methoxypyridin-3-yl)carbamate
- IUPAC
- tert-butyl N-(2-methoxy-3-pyridinyl)carbamate
- English name
- tert-butyl 2-methoxypyridin-3-ylcarbamate
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
161117-83-5tert-Butyl (2-methoxypyridin-3-yl)carbamateDTXSID40453899RefChem:382941DTXCID70404718TERT-BUTYL 2-METHOXYPYRIDIN-3-YLCARBAMATETert-butyl N-(2-methoxypyridin-3-yl)carbamate3-(Boc-amino)-2-methoxypyridineMFCD11100821Carbamic acid, N-(2-methoxy-3-pyridinyl)-, 1,1-dimethylethyl estert-butyl N-(2-methoxy-3-pyridyl)carbamatetert-Butyl(2-methoxypyridin-3-yl)carbamate
Show more names
Tert-Butyl2-methoxy-3-pyridinylcarbamate3-(N-tert-butoxycarbonylaMino)-2-Methoxypyridine
Carbamic acid, (2-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester3-(Boctert-butyl N-(2-methoxy-3-pyridyl)carbamateSCHEMBL1723318SCHEMBL30283184SJYKVVNRRFYDSS-UHFFFAOYSA-NAKOS014475955CS-W000499
Database identifiers
- CAS
161117-83-5- PubChem CID
- 11064075
- DTXSID
DTXSID40453899- Nikkaji
- J662.157K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 276 · 276.0±25.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 12.31 · 12.31±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers40 total
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Related reactions
7 records
Compound notes
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