2-Propenoic acid, 3-(4-(((4-cyanophenyl)methylene)amino)phenyl)-, (2S)-2-methylbutyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 3-(4-(((4-cyanophenyl)methylene)amino)phenyl)-, (2S)-2-methylbutyl ester
• CAS No.: 24140-33-8
• Molecular Formula: C22H22 N2 O2
• Molecular Weight: 346.42
• DSSTox Substance ID: DTXSID40885257
• Mol file: 24140-33-8.mol

Synonyms:24140-33-8;2-Propenoic acid, 3-(4-(((4-cyanophenyl)methylene)amino)phenyl)-, (2S)-2-methylbutyl ester;2-Propenoic acid, 3-[4-[[(4-cyanophenyl)methylene]amino]phenyl]-, (2S)-2-methylbutyl ester;DTXSID40885257;2-Propenoic acid, 3-[4-[[(4-cyanophenyl)methylene]amino]phenyl]-, 2-methylbutyl ester, (S)-

Chemical Property of 2-Propenoic acid, 3-(4-(((4-cyanophenyl)methylene)amino)phenyl)-, (2S)-2-methylbutyl ester

Chemical Property:

• Vapor Pressure: 4.02E-11mmHg at 25°C
• Melting Point: 92 °C
• Boiling Point: 525.2°C at 760 mmHg
• Flash Point: 271.4°C
• PSA: 62.45000
• Density: 1.03g/cm³
• LogP: 4.91138
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 346.168127949
• Heavy Atom Count: 26
• Complexity: 530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)COC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
• Isomeric SMILES: CC[C@H](C)COC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N