2-[(2,4-Dinitrophenyl)amino]octanoic acid

Base Information

• Chemical Name: 2-[(2,4-Dinitrophenyl)amino]octanoic acid
• CAS No.: 31356-30-6
• Molecular Formula: C14H19 N3 O6
• Molecular Weight: 325.3172
• NSC Number: 97899
• DSSTox Substance ID: DTXSID70294757
• Mol file: 31356-30-6.mol

Synonyms:31356-30-6;Dnp-DL-alpha-aminocaprylic acid;2-[(2,4-dinitrophenyl)amino]octanoic acid;NSC97899;DTXSID70294757;NSC-97899

Chemical Property of 2-[(2,4-Dinitrophenyl)amino]octanoic acid

Chemical Property:

• Vapor Pressure: 4.51E-12mmHg at 25°C
• Boiling Point: 530.2°Cat760mmHg
• PKA: 3.72±0.22(Predicted)
• Flash Point: 274.5°C
• PSA: 140.97000
• Density: 1.338g/cm³
• LogP: 4.45790
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 325.12738533
• Heavy Atom Count: 23
• Complexity: 420

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]