Basic information
- CAS
30533-81-4- Standard SMILES
C#CCOc1ccc(N)cc1C(=O)NC(C)(C)C- InChIKey
QJOZIADBKOQOMO-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- Benzamide, 5-amino-N-tert-butyl-2-(2-propynyloxy)-
- IUPAC
- 5-amino-N-tert-butyl-2-prop-2-ynoxybenzamide
- English name
- 5-Amino-N-tert-butyl-2-(2-propynyloxy)benzamide
- Molecular formula
- C14H18N2O2
- Molecular weight
- 246.3
Names & synonyms
30533-81-4BRN 29409585-Amino-N-tert-butyl-2-(2-propynyloxy)benzamideBenzamide, 5-amino-N-tert-butyl-2-(2-propynyloxy)-Benzamide, 5-amino-N-(1,1-dimethylethyl)-2-(2-propynyloxy)-DTXSID90184601RefChem:321861DTXCID90107092Benzamide, 5-amino-N-(1,1-dimethylethyl)-2-(2-propynyloxy)-(9CI)5-Amino-N-tert-butyl-2-[(prop-2-yn-1-yl)oxy]benzamideBenzamide, 5-amino-N-(1,1-dimethylethyl)-2-(2-propyn-1-yloxy)-
Database identifiers
- CAS
30533-81-4- PubChem CID
- 207702
- DTXSID
DTXSID90184601- Nikkaji
- J68.033H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 411.3 · 411.3±45.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 14.82 · 14.82±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…