Benzoic acid, 2-((2-(phenylmethylene)heptylidene)amino)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-((2-(phenylmethylene)heptylidene)amino)-, methyl ester
• CAS No.: 68527-78-6
• Deprecated CAS: 73791-24-9
• Molecular Formula: C22H25 N O2
• Molecular Weight: 335.48
• European Community (EC) Number: 271-283-8
• NSC Number: 46165
• DSSTox Substance ID: DTXSID1071616
• Nikkaji Number: J60.366J
• Mol file: 68527-78-6.mol

Synonyms:68527-78-6;Amyl cinnamylidene methyl anthranilate;Benzoic acid, 2-((2-(phenylmethylene)heptylidene)amino)-, methyl ester;SERINGONE 50;EINECS 271-283-8;Methyl N-(2-amyl-3-phenylpropenylidene)anthranilate;alpha-Amylcinnamylidene methyl anthranilate;methyl 2-[[(2E)-2-benzylideneheptylidene]amino]benzoate;Methyl N-(beta-pentylcinnamylidene)anthranilate;alpha-Amylcinnamaldehyde - methylanthranilate (Schiff Base);Methyl 2-((2-(phenylmethylene)heptylidene)amino)benzoate;ANTHRANILIC ACID, N-(2-BENZYLIDENEHEPTYLIDENE)-, METHYL ESTER;Benzoic acid, 2-[[2-(phenylmethylene)heptylidene]amino]-, methyl ester;Methyl 2-[[2-(phenylmethylene)heptylidene]amino]benzoate;DTXSID1071616;SCHEMBL15913768;SCHEMBL18397989;SCHEMBL18397990;WLN: 1OVR BNU1Y5&U1R;NSC46165;NSC 46165;NSC-46165;LS-20443;alpha-Amylcinnamaldehyde-methyl anthranilate;.alpha.-Amylcinnamylidene methyl anthranilate;Methyl N-(.beta.-pentylcinnamylidene)anthranilate;.alpha.-Amylcinnamaldehyde, methyl anthranilate Schiff base;alpha-Amylcinnamaldehyde-methyl anthranilate (Schiff base);2-[N-(2-Benzylideneheptylidene)amino]benzoic acid methyl ester;methyl 2 - ((2 - (phenylmethylene)heptylidene)amino) benzoate

Chemical Property of Benzoic acid, 2-((2-(phenylmethylene)heptylidene)amino)-, methyl ester

Chemical Property:

• Vapor Pressure: 1.26E-09mmHg at 25°C
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 486.8 °C at 760 mmHg
• PKA: 3.43±0.50(Predicted)
• Flash Point: 184.1 °C
• PSA: 38.66000
• Density: 0.99 g/cm³
• LogP: 5.83940
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 335.188529040
• Heavy Atom Count: 25
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OC
• Isomeric SMILES: CCCCC/C(=C\C1=CC=CC=C1)/C=NC2=CC=CC=C2C(=O)OC

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