Ethyl 3-amino-3-(3-chlorophenyl)prop-2-enoate
Basic information
- CAS
90956-80-2- Standard SMILES
CCOC(=O)C=C(N)c1cccc(Cl)c1- InChIKey
QFKRGLQCGZBCGU-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-amino-3-(3-chlorophenyl)prop-2-enoate
- IUPAC
- ethyl 3-amino-3-(3-chlorophenyl)prop-2-enoate
- English name
- 3-Amino-3-(3-chlorophenyl)-2-propenoic acid ethyl ester
- Molecular formula
- C11H12ClNO2
- Molecular weight
- 225.67
Names & synonyms
SCHEMBL7682832SCHEMBL31749890Ethyl 3-amino-3-(3-chlorophenyl)-2-propenoate3-Amino-3-(3-chlorophenyl)-2-propenoic acid ethyl ester
Database identifiers
- CAS
90956-80-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 376.679 · 376.679±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.447 · 3.447±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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