Ethyl 3-amino-3-(3-propan-2-ylphenyl)prop-2-enoate
Basic information
- CAS
68210-89-9- Standard SMILES
CCOC(=O)C=C(N)c1cccc(C(C)C)c1- InChIKey
WKYMJEQPKPZRHZ-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-amino-3-(3-propan-2-ylphenyl)prop-2-enoate
- IUPAC
- ethyl 3-amino-3-(3-propan-2-ylphenyl)prop-2-enoate
- English name
- 3-Amino-3-(3-isopropylphenyl)-2-propenoic acid ethyl ester
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
SCHEMBL113907183-Amino-3-(3-isopropylphenyl)-2-propenoic acid ethyl ester
Database identifiers
- CAS
68210-89-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 142 · 142-143 °C(Press: 0.15 Torr)
- Density
- 1.041 · 1.041±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.032 · 4.032±0.70(predicted)
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Compound notes
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