3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine

Base Information

• Chemical Name: 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine
• CAS No.: 342-95-0
• Deprecated CAS: 23255-74-5
• Molecular Formula: C₁₃H₁₈Cl₂N₂O₂
• Molecular Weight: 305.204
• NSC Number: 57199
• UN Number: 2811
• DSSTox Substance ID: DTXSID801273943
• ChEMBL ID: CHEMBL3247486
• Mol file: 342-95-0.mol

Synonyms:Merophan;o-DL-Sarcolysin;o-Phenylalanine mustard;o-Merphalan;(+-)-O-Phenylalanine mustard;o-Sarcolysin;Ortho-phenylalanine mustard;FDA 0109;342-95-0;3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine;NSC-57199;CB 1729;2-[bis(2-chloroethyl)amino]phenylalanine;o-Di-2-chloroethylamino-DL-phenylalanine;AI3-50754;DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)-;3-(o-(Bis(beta-chloroethyl)amino)phenyl)-DL-alanine;DL-Alanine, 3-(o-(bis(2-chloroethyl)amino)phenyl)-;2-(bis(2-Chloroethyl)amino)phenylalanine;ALANINE, 3-(o-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-, DL-;Phenylalanine, 2-(bis(2-chloroethyl)amino)-;Phenylalanine, 2-[bis(2-chloroethyl)amino]-;DL-Phenylalanine, 2-[bis(2-chloroethyl)amino]-;DL-Alanine, 3-(o-[bis(2-chloroethyl)amino]phenyl)-;NCIOpen2_007587;WLN: QVYZ1R BN2G2G;CHEMBL3247486;(.+-.)-o-Phenylalanine mustard;DTXSID801273943;NSC57199;LS-15872;o-Di-(2-chloroethyl)amino-DL-phenylalanine;3-(o-(Bis(.beta.-chloroethyl)amino)phenyl)-d,l-alanine;3-[o-[Bis(.beta.-chloroethyl)amino]phenyl]-DL-alanine

Chemical Property of 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine

Chemical Property:

• Vapor Pressure: 2.01E-09mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 464.4 °C at 760 mmHg
• Flash Point: 234.7 °C
• Density: 1.32 g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 304.0745332
• Heavy Atom Count: 19
• Complexity: 273
• Transport DOT Label: Poison

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)N(CCCl)CCCl

Technology Process of 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine

There total 1 articles about 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ o--DL-phenylalanin (342-95-0)

Guidance literature:

2-Di-<2-chlor-ethyl>-amino-N-phthaloyl-phenylalanin-ethylester, konz. HCl, Δ;