3-[(3,4-Dichlorobenzoyl)amino]-4-[3-methoxypropyl(pentyl)amino]-4-oxobutanoic acid

Base Information

• Chemical Name: 3-[(3,4-Dichlorobenzoyl)amino]-4-[3-methoxypropyl(pentyl)amino]-4-oxobutanoic acid
• CAS No.: 111106-29-7
• Molecular Formula: C20H28 Cl2 N2 O5
• Molecular Weight: 447.35
• DSSTox Substance ID: DTXSID90911999
• Mol file: 111106-29-7.mol

Synonyms:111106-29-7;3-[(3,4-dichlorobenzoyl)amino]-4-[3-methoxypropyl(pentyl)amino]-4-oxobutanoic acid;(+-)-3-((3,4-Dichlorobenzoyl)amino)-4-((3-methoxypropyl)pentylamino)-4-oxobutanoic acid;Butanoic acid, 3-((3,4-dichlorobenzoyl)amino)-4-((3-methoxypropyl)pentylamino)-4-oxo-, (+-)-;(+-)-3-((3,4-Dichlorobenzoyl)amino)-4-((3-methoxypropyl)pentylamino)-4 -oxobutanoic acid;DTXSID90911999;OOAHJPSFFMFEKA-UHFFFAOYSA-N;LS-46217;N~2~-[(3,4-Dichlorophenyl)(hydroxy)methylidene]-N-(3-methoxypropyl)-N-pentyl-alpha-asparagine

Chemical Property of 3-[(3,4-Dichlorobenzoyl)amino]-4-[3-methoxypropyl(pentyl)amino]-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 1.21E-15mmHg at 25°C
• Boiling Point: 608.2°C at 760 mmHg
• Flash Point: 321.6°C
• PSA: 99.43000
• Density: 1.251g/cm³
• LogP: 4.19660
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 446.1375274
• Heavy Atom Count: 29
• Complexity: 535

Purity/Quality:

99%min ^*data from raw suppliers

(+/-)-3-((3,4-DICHLOROBENZOYL)AMINO)-4-((3-METHOXYPROPYL)PENTYLAMINO)-4-OXOBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN(CCCOC)C(=O)C(CC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl