3,5-Dinitro-4-((1-ethyl-3-hydroxypropyl)amino)-2-methylbenzoic acid

Base Information

• Chemical Name: 3,5-Dinitro-4-((1-ethyl-3-hydroxypropyl)amino)-2-methylbenzoic acid
• CAS No.: 127971-56-6
• Molecular Formula: C13H17 N3 O7
• Molecular Weight: 327.29
• DSSTox Substance ID: DTXSID10926045
• Mol file: 127971-56-6.mol

Synonyms:3,5-Dinitro-4-((1-ethyl-3-hydroxypropyl)amino)-2-methylbenzoic acid;127971-56-6;Benzoic acid, 3,5-dinitro-4-((1-ethyl-3-hydroxypropyl)amino)-2-methyl-;DTXSID10926045;C13H17N3O7;LS-37297;4-[(1-HYDROXYPENTAN-3-YL)AMINO]-2-METHYL-3,5-DINITROBENZOIC ACID

Chemical Property of 3,5-Dinitro-4-((1-ethyl-3-hydroxypropyl)amino)-2-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.05E-12mmHg at 25°C
• Boiling Point: 544.9°C at 760 mmHg
• Flash Point: 283.3°C
• Density: 1.452g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 327.10664989
• Heavy Atom Count: 23
• Complexity: 448

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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