Basic information
- CAS
17788-15-7- Standard SMILES
C/C=C/C(=O)Nc1cccc(OC(=O)NC)c1- InChIKey
XDUPUIUISDIOAT-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- Crotonanilide, m-hydroxy-, methylcarbamate (ester)
- IUPAC
- [3-[[(E)-but-2-enoyl]amino]phenyl] N-methylcarbamate
- English name
- N-Methylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester
- Molecular formula
- C12H14N2O3
- Molecular weight
- 234.25
Names & synonyms
17788-15-7CROTONANILIDE, m-HYDROXY-, METHYLCARBAMATE (ester)RefChem:1082274m-Tiglamidophenyl methylcarbamate3'-(Methylcarbamoyloxy)crotonanilide[3-[[(E)-but-2-enoyl]amino]phenyl] N-methylcarbamateN-Methylcarbamic acid 3-[(1-oxo-2-butenyl)amino]phenyl ester
Database identifiers
- CAS
17788-15-7- PubChem CID
- 6433705
- Nikkaji
- J48.572A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 410.57 · 410.570±41.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.163 · 12.163±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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