3,7-Diazabicyclo(3.3.1)nonane, 3-((3-chlorophenyl)sulfonyl)-9,9-dimethyl-7-ethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Base Information

• Chemical Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-((3-chlorophenyl)sulfonyl)-9,9-dimethyl-7-ethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
• CAS No.: 120465-79-4
• Molecular Formula: C21H31ClN2O8S
• Molecular Weight: 506.9974
• DSSTox Substance ID: DTXSID50923412
• Mol file: 120465-79-4.mol

Synonyms:120465-79-4;3,7-Diazabicyclo(3.3.1)nonane, 3-((3-chlorophenyl)sulfonyl)-9,9-dimethyl-7-ethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1);DTXSID50923412;C17H25ClN2O2S.C4H6O6;LS-59666;C17-H25-Cl-N2-O2-S.C4-H6-O6;2,3-Dihydroxybutanedioic acid--3-(3-chlorobenzene-1-sulfonyl)-7-ethyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane (1/1)

Chemical Property of 3,7-Diazabicyclo(3.3.1)nonane, 3-((3-chlorophenyl)sulfonyl)-9,9-dimethyl-7-ethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.23E-08mmHg at 25°C
• Boiling Point: 459.7°C at 760 mmHg
• Flash Point: 231.8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 506.1489648
• Heavy Atom Count: 33
• Complexity: 647

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=CC=C3)Cl.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: CCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=CC=C3)Cl.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O