3-Amino-4-(4-methyl-piperazin-1-yl)-benzamide

Base Information

• Chemical Name: 3-Amino-4-(4-methyl-piperazin-1-yl)-benzamide
• CAS No.: 842961-35-7
• Molecular Formula: C12H18N4O
• Molecular Weight: 234.3
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10349578
• Wikidata: Q82124952
• ChEMBL ID: CHEMBL1506184
• Mol file: 842961-35-7.mol

Synonyms:3-Amino-4-(4-methyl-piperazin-1-yl)-benzamide;842961-35-7;3-amino-4-(4-methylpiperazin-1-yl)benzamide;3-AMINO-4-(4-METHYL-1-PIPERAZINYL)BENZAMIDE;HMS2322J13;SMR000013036;MLS000027209;CHEMBL1506184;DTXSID10349578;BBL015641;MFCD06010204;STL140585;AKOS000300861;VS-04984;SR-01000326707;SR-01000326707-1

Chemical Property of 3-Amino-4-(4-methyl-piperazin-1-yl)-benzamide

Chemical Property:

• Vapor Pressure: 3.92E-07mmHg at 25°C
• Boiling Point: 416.1°C at 760 mmHg
• PKA: 17.40±0.50(Predicted)
• Flash Point: 205.5°C
• PSA: 75.59000
• Density: 1.209g/cm³
• LogP: 1.40390
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.14806121
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4-(4-methylpiperazin-1-yl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)N