beta-Alanine, N-(4-(2,2-dicyanoethenyl)-3-methylphenyl)-N-(2-phenylethyl)-, methyl ester

Base Information

• Chemical Name: beta-Alanine, N-(4-(2,2-dicyanoethenyl)-3-methylphenyl)-N-(2-phenylethyl)-, methyl ester
• CAS No.: 30165-79-8
• Molecular Formula: C23H23 N3 O2
• Molecular Weight: 373.4476
• Mol file: 30165-79-8.mol

Synonyms:EINECS 250-076-6;beta-Alanine, N-(4-(2,2-dicyanoethenyl)-3-methylphenyl)-N-(2-phenylethyl)-, methyl ester

Chemical Property of beta-Alanine, N-(4-(2,2-dicyanoethenyl)-3-methylphenyl)-N-(2-phenylethyl)-, methyl ester

Chemical Property:

• Boiling Point: 565.1°Cat760mmHg
• PKA: 1.73±0.50(Predicted)
• Flash Point: 295.6°C
• PSA: 77.12000
• Density: 1.173g/cm³
• LogP: 4.03616
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 373.17902698
• Heavy Atom Count: 28
• Complexity: 629

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N(CCC2=CC=CC=C2)C(C)C(=O)OC)C=C(C#N)C#N

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