[(3-{[(1-Iminioethyl)amino]methyl}phenyl)methyl]ammonium

Base Information

• Chemical Name: [(3-{[(1-Iminioethyl)amino]methyl}phenyl)methyl]ammonium
• CAS No.: 214358-33-5
• Molecular Formula: C10H17N3
• Molecular Weight: 179.261
• Hs Code.: 29242998
• DSSTox Substance ID: DTXSID80944014
• Mol file: 214358-33-5.mol

Synonyms:DTXSID80944014;[(3-{[(1-Iminioethyl)amino]methyl}phenyl)methyl]ammonium

Chemical Property of [(3-{[(1-Iminioethyl)amino]methyl}phenyl)methyl]ammonium

Chemical Property:

• Vapor Pressure: 0.000183mmHg at 25°C
• Melting Point: 208 °C
• Boiling Point: 329 °C at 760 mmHg
• Flash Point: 152.7 °C
• PSA: 61.90000
• LogP: 4.02700
• Storage Temp.: −20°C
• Solubility.: Soluble in Water (up to 25 mg/ml).
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 179.142247555
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(3-(Aminomethyl)benzyl)acetamidineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=[NH+]CC1=CC=CC(=C1)C[NH3+])N
• Description: 1400W (214358-33-5) is a potent, tight-binding, slow inhibitor of inducible nitric oxide synthase (iNOS). Highly selective for iNOS3?(Ki?= 7 nM) over nNOS or eNOS (Ki‘s of 2 μM and 50 μM respectively).1?1400W is cell permeable and active?in vivo.2
• Uses: A selective inducible nitric oxide synthase (iNOS) inhibitor. A long-acting human iNOS inhibitor possessing an IC50 value of 2.0uM. 1400W dihydrochloride has been used:as a strong inhibitor of inducible nitric oxide to analyse its effect on intestinal ischemia/reperfusion (I/R) injury model in ratas inducible nitric oxide synthase (iNOS)-selective inhibitor, to elucidate the mechanism of PM10-induced endothelial dysfunctionto study its efficacy on renal ischemia/ reperfusion injury in ratsas iNOS inhibitor to investigate its ability to counteract spatial memory deficits after hypobaric hypoxia reoxygenation