Benzamide, 5-amino-N-propyl-2-(2-propynyloxy)-
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Basic information
- CAS
30533-77-8- Standard SMILES
C#CCOc1ccc(N)cc1C(=O)NCCC- InChIKey
AAUTTWDSALBGBR-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- Benzamide, 5-amino-N-propyl-2-(2-propynyloxy)-
- IUPAC
- 5-amino-N-propyl-2-prop-2-ynoxybenzamide
- English name
- 5-Amino-N-propyl-2-(2-propynyloxy)benzamide
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
30533-77-85-Amino-N-propyl-2-(2-propynyloxy)benzamideBRN 2941700Benzamide, 5-amino-N-propyl-2-(2-propynyloxy)-DTXSID60184597RefChem:321860DTXCID001070885-Amino-N-propyl-2-[(prop-2-yn-1-yl)oxy]benzamideBenzamide, 5-amino-N-propyl-2-(2-propyn-1-yloxy)-
Database identifiers
- CAS
30533-77-8- PubChem CID
- 207699
- DTXSID
DTXSID60184597- Nikkaji
- J68.047H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 413.2 · 413.2±45.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 14.83 · 14.83±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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