Benzoic acid, 2-(((2,4-dimethyl-3-cyclohexen-1-yl)methylene)amino)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-(((2,4-dimethyl-3-cyclohexen-1-yl)methylene)amino)-, methyl ester
• CAS No.: 68845-02-3
• Molecular Formula: C17H21 N O2
• Molecular Weight: 271.3541
• European Community (EC) Number: 272-449-2
• DSSTox Substance ID: DTXSID9052422
• Nikkaji Number: J332.643H
• Mol file: 68845-02-3.mol

Synonyms:68845-02-3;Triplal / Methyl anthranilate schiff base;EINECS 272-449-2;Benzoic acid, 2-(((2,4-dimethyl-3-cyclohexen-1-yl)methylene)amino)-, methyl ester;N-(2,4-Dimethyl-3-cyclohexenyl)methylideneanthranilic acid, methyl ester;Benzoic acid, 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]-, methyl ester;SCHEMBL1401367;SCHEMBL4441403;SCHEMBL6231232;DTXSID9052422;2-[(2,4-Dimethyl-3-cyclohexenyl)methyleneamino]benzoic acid methyl ester;Methyl-2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate;Benzoic acid, 2-[[(2,4-dimethyl-3-cyclohexen- 1-yl)methylene]amino]-, methyl ester;Benzoic acid,2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]-,methyl ester;METHYL 2-{[(2,4-DIMETHYLCYCLOHEX-3-EN-1-YL)METHYLIDENE]AMINO}BENZOATE

Chemical Property of Benzoic acid, 2-(((2,4-dimethyl-3-cyclohexen-1-yl)methylene)amino)-, methyl ester

Chemical Property:

• Vapor Pressure: 9.35E-07mmHg at 25°C
• Boiling Point: 404.6 °C at 760 mmHg
• PKA: 3.90±0.60(Predicted)
• Flash Point: 165 °C
• PSA: 38.66000
• Density: 1.06 g/cm³
• LogP: 4.16790
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 271.157228913
• Heavy Atom Count: 20
• Complexity: 400

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C=C(CCC1C=NC2=CC=CC=C2C(=O)OC)C