tert-butyl N-(5-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
Basic information
- CAS
342635-34-1- Standard SMILES
CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc(Br)cn1- InChIKey
PVBCXORHXWXYGU-UHFFFAOYSA-N- Molecular formula
- C15H22BrN3O4
- Average molar mass
- 388.26 g/mol
- Monoisotopic mass
- 387.07937
Names & identifiers
- Preferred name
- tert-butyl N-(5-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
- IUPAC
- tert-butyl N-(5-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
- English name
- bis(1,1-dimethylethyl) 1-(5-bromo-2-pyridyl) hydrazine-1,2-dicarboxylate
- Molecular formula
- C15H22BrN3O4
- Molecular weight
- 388.26
Names & synonyms
bis(1,1-dimethylethyl) 1-(5-bromo-2-pyridyl) hydrazine-1,2-dicarboxylate1,2-Hydrazinedicarboxylic acid, 1-(5-bromo-2-pyridinyl)-, 1,2-bis(1,1-dimethylethyl) ester
Database identifiers
- CAS
342635-34-1- PubChem CID
- 11292165
- Nikkaji
- J1.615.236F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Melting point
- 75 · 75-77 °C
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 7.77 · 7.77±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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