Basic information
- CAS
1333319-51-9- Standard SMILES
CC(C)(C)NC(=O)c1cc(C#N)cc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
NIOAAWIYVNEMED-UHFFFAOYSA-N- Molecular formula
- C18H25BN2O3
- Average molar mass
- 328.2 g/mol
- Monoisotopic mass
- 328.1958228
Names & identifiers
- Preferred name
- N-tert-butyl-3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- IUPAC
- N-tert-butyl-3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- English name
- N-tert-butyl-3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- Molecular formula
- C18H25BN2O3
- Molecular weight
- 328.21
Names & synonyms
1333319-51-9N-tert-butyl-3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideN-(tert-Butyl)-3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideBenzamide, 3-cyano-N-(1,1-dimethylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-starbld0018610DTXSID401123235
Database identifiers
- CAS
1333319-51-9- PubChem CID
- 71304574
- DTXSID
DTXSID401123235
Properties
Computed structural properties
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Boiling point
- 453.6 · 453.6±40.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 14.9 · 14.90±0.46(Predicted)
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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