4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

Base Information

• Chemical Name: 4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
• CAS No.: 749886-87-1
• Molecular Formula: C16H20N2
• Molecular Weight: 240.3434
• European Community (EC) Number: 685-995-5
• ChEMBL ID: CHEMBL4303329
• DSSTox Substance ID: DTXSID20587909
• Nikkaji Number: J2.074.226G
• Wikidata: Q82480384
• Mol file: 749886-87-1.mol

Synonyms:4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine;JSH 23;JSH-23

Chemical Property of 4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 3.22E-07mmHg at 25°C
• Melting Point: 104.4-105.0℃
• Boiling Point: 418.7°C at 760 mmHg
• PKA: 5.99±0.11(Predicted)
• Flash Point: 245°C
• PSA: 38.05000
• Density: 1.086g/cm³
• LogP: 4.27610
• Storage Temp.: ?20°C
• Solubility.: DMSO: >10mg/mL
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.162648646
• Heavy Atom Count: 18
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-41-50/53
• Safety Statements: 26-39-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N
• Uses: A cell-permeable, selective blocker of nuclear translocation of NF-KB p65. NF-KB activation inhibitor II, JSH-23 JSH-23 is a cell-permeable, selective blocker of nuclear translocation of NF-KB p65. NF-KB activation inhibitor II. JSH-23 has been used as a nuclear factor κB (NF-κB) p65 inhibitor.