Basic information
- CAS
30533-76-7- Standard SMILES
C#CCOc1cc(Cl)c(N)cc1C(=O)NCC- InChIKey
VBENVVTYDGAFPS-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- Benzamide, 5-amino-4-chloro-N-ethyl-2-(2-propynyloxy)-
- IUPAC
- 5-amino-4-chloro-N-ethyl-2-prop-2-ynoxybenzamide
- English name
- 5-Amino-4-chloro-N-ethyl-2-(2-propynyloxy)benzamide
- Molecular formula
- C12H13ClN2O2
- Molecular weight
- 252.7
Names & synonyms
30533-76-7BRN 29421155-Amino-4-chloro-N-ethyl-2-(2-propynyloxy)benzamideBenzamide, 5-amino-4-chloro-N-ethyl-2-(2-propynyloxy)-DTXSID00184596RefChem:321844DTXCID401070875-Amino-4-chloro-N-ethyl-2-[(prop-2-yn-1-yl)oxy]benzamideBenzamide, 5-amino-4-chloro-N-ethyl-2-(2-propyn-1-yloxy)-
Database identifiers
- CAS
30533-76-7- PubChem CID
- 207698
- DTXSID
DTXSID00184596- Nikkaji
- J68.035D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 392.6 · 392.6±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 14.13 · 14.13±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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