2-[(2-Aminoethyl)amino]-3-nitrobenzoic acid

Base Information

• Chemical Name: 2-[(2-Aminoethyl)amino]-3-nitrobenzoic acid
• CAS No.: 374063-88-4
• Molecular Formula: C9H11N3O4
• Molecular Weight: 225.2
• Hs Code.: 2922499990
• European Community (EC) Number: 630-004-3
• DSSTox Substance ID: DTXSID50377971
• Mol file: 374063-88-4.mol

Synonyms:374063-88-4;2-[(2-aminoethyl)amino]-3-nitrobenzoic acid;2[(2-Aminoethyl)amino]-3-nitrobenzoic acid;2-(2-aminoethylamino)-3-nitrobenzoic acid;MFCD06245326;DTXSID50377971;AKOS005254636

Chemical Property of 2-[(2-Aminoethyl)amino]-3-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 3.63E-09mmHg at 25°C
• Refractive Index: 1.672
• Boiling Point: 457.6 °C at 760 mmHg
• Flash Point: 230.5 °C
• PSA: 121.17000
• Density: 1.467 g/cm³
• LogP: 1.96010
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 225.07495584
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

2[(2-AMINOETHYL)AMINO]-3-NITROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])NCCN)C(=O)O

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