2-{4-[Ethyl(pentyl)amino]-2-hydroxybenzoyl}benzoic acid

Base Information

• Chemical Name: 2-{4-[Ethyl(pentyl)amino]-2-hydroxybenzoyl}benzoic acid
• CAS No.: 90168-08-4
• Molecular Formula: C21H25NO4
• Molecular Weight: 355.42800
• DSSTox Substance ID: DTXSID00607477
• Nikkaji Number: J22.382D
• Wikidata: Q82506496
• Mol file: 90168-08-4.mol

Synonyms:90168-08-4;SCHEMBL11080174;DTXSID00607477;2-{4-[ETHYL(PENTYL)AMINO]-2-HYDROXYBENZOYL}BENZOIC ACID

Chemical Property of 2-{4-[Ethyl(pentyl)amino]-2-hydroxybenzoyl}benzoic acid

Chemical Property:

• Boiling Point: 561.4±45.0 °C(Predicted)
• PKA: 3.27±0.36(Predicted)
• PSA: 77.84000
• Density: 1.188±0.06 g/cm3(Predicted)
• LogP: 4.33790
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 355.17835828
• Heavy Atom Count: 26
• Complexity: 467

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O