Benzoic acid, 3,5-diamino-4-chloro-, butyl ester

Base Information

• Chemical Name: Benzoic acid, 3,5-diamino-4-chloro-, butyl ester
• CAS No.: 40362-35-4
• Molecular Formula: C11H15ClN2O2
• Molecular Weight: 242.702
• DSSTox Substance ID: DTXSID1068225
• Nikkaji Number: J422.419A
• Wikidata: Q81994944
• Mol file: 40362-35-4.mol

Synonyms:40362-35-4;Benzoic acid, 3,5-diamino-4-chloro-, butyl ester;Butyl 4-chloro-3,5-diaminobenzoate;isobutyl 3,5-diamino-4-chlorobenzoater;3,5-Diamino-4-chlorobenzoic acid butyl ester;DTXSID1068225;AKOS015965339;AC-20481

Chemical Property of Benzoic acid, 3,5-diamino-4-chloro-, butyl ester

Chemical Property:

• Boiling Point: 396.9°Cat760mmHg
• Flash Point: 193.9°C
• PSA: 78.34000
• Density: 1.255g/cm³
• LogP: 3.62370
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 242.0822054
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC(=C(C(=C1)N)Cl)N