2-(3-Methylpiperazin-1-yl)-3-nitrobenzoic acid

Base Information

• Chemical Name: 2-(3-Methylpiperazin-1-yl)-3-nitrobenzoic acid
• CAS No.: 893611-87-5
• Molecular Formula: C12H15 N3 O4
• Molecular Weight: 265.27
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60587504
• Mol file: 893611-87-5.mol

Synonyms:893611-87-5;2-(3-methylpiperazin-1-yl)-3-nitrobenzoic acid;2-(3-Methyl-piperazin-1-yl)-3-nitro-benzoic acid;Benzoic acid,2-(3-methyl-1-piperazinyl)-3-nitro-;MFCD08056170;DTXSID60587504;AKOS005254649;MCULE-6303164484;2-(3-METHYL-PIPERAZIN-1-YL)-3-NITRO-BENZOICACID

Chemical Property of 2-(3-Methylpiperazin-1-yl)-3-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 2.88E-09mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 460.2°C at 760 mmHg
• Flash Point: 232.1°C
• PSA: 98.39000
• Density: 1.312g/cm³
• LogP: 2.00810
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 265.10625597
• Heavy Atom Count: 19
• Complexity: 357

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(3-METHYLPIPERAZIN-1-YL)-3-NITROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O