2-{[Bis(2-chloroethyl)amino]methyl}phenylalanine--hydrogen chloride (1/2)

Base Information

• Chemical Name: 2-{[Bis(2-chloroethyl)amino]methyl}phenylalanine--hydrogen chloride (1/2)
• CAS No.: 2185-98-0
• Molecular Formula: C14H20Cl2N2O2•2ClH
• Molecular Weight: 392.18
• DSSTox Substance ID: DTXSID00944455
• Mol file: 2185-98-0.mol

Synonyms:AT-581;ocaphane;ocaphane dihydrochloride

Chemical Property of 2-{[Bis(2-chloroethyl)amino]methyl}phenylalanine--hydrogen chloride (1/2)

Chemical Property:

• Vapor Pressure: 6.2E-07mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 394.6°Cat760mmHg
• Flash Point: 192.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 392.040589
• Heavy Atom Count: 22
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)CN(CCCl)CCCl.Cl.Cl