2-Propenoic acid, 3-[4-[[(4-cyanophenyl)methylene]amino]phenyl]-, (2S)-2-methylbutyl ester
Basic information
- CAS
24140-33-8- Standard SMILES
CC[C@H](C)COC(=O)C=Cc1ccc(N=Cc2ccc(C#N)cc2)cc1- InChIKey
QBHAGCFAQGQZGQ-KRWDZBQOSA-N- Molecular formula
- C22H22N2O2
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.16812795
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-[4-[[(4-cyanophenyl)methylene]amino]phenyl]-, (2S)-2-methylbutyl ester
- IUPAC
- [(2S)-2-methylbutyl] 3-[4-[(4-cyanophenyl)methylideneamino]phenyl]prop-2-enoate
- English name
- 3-[4-[[(4-Cyanophenyl)methylene]amino]phenyl]propenoic acid (S)-2-methylbutyl ester
- Molecular formula
- C22H22N2O2
- Molecular weight
- 346.42
Names & synonyms
2-Propenoic acid, 3-(4-(((4-cyanophenyl)methylene)amino)phenyl)-, (2S)-2-methylbutyl esterDTXSID408852572-Propenoic acid, 3-[4-[[(4-cyanophenyl)methylene]amino]phenyl]-, (2S)-2-methylbutyl esterRefChem:482069DTXCID30102464824140-33-8QBHAGCFAQGQZGQ-KRWDZBQOSA-N(2S)-2-methylbutyl 3-(4-{[(4-cyanophenyl)methylidene]amino}phenyl)prop-2-enoate3-[4-[[(4-Cyanophenyl)methylene]amino]phenyl]propenoic acid (S)-2-methylbutyl ester
Database identifiers
- CAS
24140-33-8- PubChem CID
- 91126
- DTXSID
DTXSID40885257
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3-[4-[[(4-cyanophenyl)methylene]amino]phenyl]-, (2S)-2-methylbutyl ester (24140-33-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 3-[4-[[(4-cyanophenyl)methylene]amino]phenyl]-, (2S)-2-methylbutyl ester: INACTIVE
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Related reactions
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Compound notes
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