Unii-E4C3xgz4U7

Base Information

• Chemical Name: Unii-E4C3xgz4U7
• CAS No.: 188923-01-5
• Molecular Formula: C26H29ClF7N5O2
• Molecular Weight: 611.99
• UNII: E4C3XGZ4U7
• DSSTox Substance ID: DTXSID30430977
• Pharos Ligand ID: JSDXT377D7BS
• Mol file: 188923-01-5.mol

Synonyms:2-(1,3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(5-(dimethylaminomethyl-1,2,3-trioazol-4-yl methyl-3-(5)-phenyl)morpholine;L 760735;L-760,735;L760735

Chemical Property of Unii-E4C3xgz4U7

Chemical Property:

• Melting Point: 201-202 °C(Solv: ethyl acetate (141-78-6); heptane (142-82-5); isopropanol (67-63-0))
• PSA: 66.51000
• LogP: 6.46030
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 611.1898000
• Heavy Atom Count: 41
• Complexity: 774

Purity/Quality:

≥99% by HPLC ^*data from raw suppliers

L760735 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNN=C3CN(C)C)C4=CC=C(C=C4)F.Cl
• Isomeric SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNN=C3CN(C)C)C4=CC=C(C=C4)F.Cl
• Uses: L 760735 is used in the synthetic preparation of a (triazolylmethyl)morpholine derivative as substance P antagonist.