Basic information
- CAS
30509-95-6- Standard SMILES
C=CCOc1ccc(N)cc1C(=O)NC1CC1- InChIKey
RSDATEUHDXWDBN-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- Benzamide, 2-(allyloxy)-5-amino-N-cyclopropyl-
- IUPAC
- 5-amino-N-cyclopropyl-2-prop-2-enoxybenzamide
- English name
- 2-(Allyloxy)-5-amino-N-cyclopropylbenzamide
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
2-(Allyloxy)-5-amino-N-cyclopropylbenzamide30509-95-6BRN 2942112Benzamide, 2-(allyloxy)-5-amino-N-cyclopropyl-5-Amino-N-cyclopropyl-2-(2-(propenyl)oxy)benzamideBenzamide, 5-amino-N-cyclopropyl-2-(2-(propenyl)oxy)-DTXSID10184582RefChem:321341DTXCID50107073Benzamide, 5-amino-N-cyclopropyl-2-(2-(propenyl)oxy)-(9CI)5-Amino-N-cyclopropyl-2-[(prop-2-en-1-yl)oxy]benzamideBenzamide, 5-amino-N-cyclopropyl-2-(2-propen-1-yloxy)-
Database identifiers
- CAS
30509-95-6- PubChem CID
- 207685
- DTXSID
DTXSID10184582- Nikkaji
- J68.021D
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 289
Physicochemical properties
- Boiling point
- 419.1 · 419.1±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 14.59 · 14.59±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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