1,2-bis(ethenyl)benzene;(2R,3S,4R,5R)-1-[(2-ethenylphenyl)methyl-methylamino]hexane-1,2,3,4,5,6-hexol

Base Information

• Chemical Name: 1,2-bis(ethenyl)benzene;(2R,3S,4R,5R)-1-[(2-ethenylphenyl)methyl-methylamino]hexane-1,2,3,4,5,6-hexol
• CAS No.: 63181-98-6
• Molecular Formula: C26H35NO6
• Molecular Weight: 457.5592
• DSSTox Substance ID: DTXSID90979175
• Mol file: 63181-98-6.mol

Synonyms:63181-98-6;1,2-bis(ethenyl)benzene;(2R,3S,4R,5R)-1-[(2-ethenylphenyl)methyl-methylamino]hexane-1,2,3,4,5,6-hexol;DTXSID90979175;(C16-H25-N-O5.C10-H10)x-;1,2-Diethenylbenzene--1-C-{[(2-ethenylphenyl)methyl](methyl)amino}hexitol (1/1)

Chemical Property of 1,2-bis(ethenyl)benzene;(2R,3S,4R,5R)-1-[(2-ethenylphenyl)methyl-methylamino]hexane-1,2,3,4,5,6-hexol

Chemical Property:

• Vapor Pressure: 1.35E-16mmHg at 25°C
• Boiling Point: 627.2°Cat760mmHg
• Flash Point: 379.1°C
• PSA: 124.62000
• Density: g/cm³
• LogP: 1.48830
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 457.24643784
• Heavy Atom Count: 33
• Complexity: 464

Purity/Quality:

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

Amberlite? IRA743 free base free base ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1C=C)C(C(C(C(C(CO)O)O)O)O)O.C=CC1=CC=CC=C1C=C
• Isomeric SMILES: CN(CC1=CC=CC=C1C=C)C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O.C=CC1=CC=CC=C1C=C
• Uses: Borate-specific chelating resin for the removal of borate, boric acid, other boron species from water; highly selective so that salts, including bases, do not interfere significantly.