Ethyl 2-(4-methyl-1,4-diazepan-1-yl)benzoate

Base Information

• Chemical Name: Ethyl 2-(4-methyl-1,4-diazepan-1-yl)benzoate
• CAS No.: 912569-58-5
• Molecular Formula: C15H22N2O2
• Molecular Weight: 262.34738
• DSSTox Substance ID: DTXSID10594662
• Wikidata: Q82489570
• Mol file: 912569-58-5.mol

Synonyms:912569-58-5;ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate;ethyl 2-(4-methyl-1,4-diazepan-1-yl)benzoate;DTXSID10594662;MFCD09025904;DB-078951

Chemical Property of Ethyl 2-(4-methyl-1,4-diazepan-1-yl)benzoate

Chemical Property:

• Vapor Pressure: 5.84E-06mmHg at 25°C
• Boiling Point: 379.5°C at 760 mmHg
• Flash Point: 183.3°C
• PSA: 32.78000
• Density: 1.071g/cm³
• LogP: 2.00810
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.168127949
• Heavy Atom Count: 19
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL-2-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1N2CCCN(CC2)C