Tert-butyl (2-chloro-4-methylpyridin-3-yl)carbamate
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Basic information
- CAS
1353677-48-1- Standard SMILES
Cc1ccnc(Cl)c1NC(=O)OC(C)(C)C- InChIKey
JNQDIJOFBMEKKH-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2
- Average molar mass
- 242.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (2-chloro-4-methylpyridin-3-yl)carbamate
- IUPAC
- tert-butyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
- English name
- tert-butyl 2-chloro-4-methylpyridin-3-ylcarbamate
- Molecular formula
- C11H15ClN2O2
- Molecular weight
- 242.7
Names & synonyms
1353677-48-1tert-butyl (2-chloro-4-methylpyridin-3-yl)carbamatetert-butyl N-(2-chloro-4-methylpyridin-3-yl)carbamateSCHEMBL1699175JNQDIJOFBMEKKH-UHFFFAOYSA-NAKOS014828356DA-45811CS-0346502EN300-3235353tert-butyl N-(2-chloro-4-methyl-3-pyridyl)carbamatetert-butyl 2-chloro-4-methylpyridin-3-ylcarbamate(2-Chloro-4-methyl-pyridin-3-yl)-carbamic acid tert-butyl ester
Show more names
Carbamic acid, N-(2-chloro-4-methyl-3-pyridinyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353677-48-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 298.5 · 298.5±40.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 12.01 · 12.01±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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