NB-Enantrane

Base Information

• Chemical Name: NB-Enantrane
• CAS No.: 81971-15-5
• Molecular Formula: C26H39BO
• Molecular Weight: 378.40
• European Community (EC) Number: 632-862-4
• UNII: YDL71E95D9
• DSSTox Substance ID: DTXSID40510395
• Nikkaji Number: J734.743J
• Wikidata: Q76422916,Q27294473
• Mol file: 81971-15-5.mol

Synonyms:NB-Enantrane;81971-15-5;Nb-enantrane [MI];UNII-YDL71E95D9;YDL71E95D9;9-((1S,2R,3S,5S)-6,6-Dimethyl-2-(2-(phenylmethoxy)ethyl)bicyclo(3.1.1)hept-3-yl)-9-borabicyclo(3.3.1)nonane;9-[(1S,2R,3S,5S)-6,6-dimethyl-2-(2-phenylmethoxyethyl)-3-bicyclo[3.1.1]heptanyl]-9-borabicyclo[3.3.1]nonane;9-Borabicyclo(3.3.1)nonane, 9-((1S,2R,3S,5S)-6,6-dimethyl-2-(2-(phenylmethoxy)ethyl)bicyclo(3.1.1)hept-3-yl)-;DTXSID40510395;Q27294473;(1R,5R)-9-((1S,2R,3S,5S)-2-(2-(benzyloxy)ethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-yl)-9-borabicyclo[3.3.1]nonane;9-{(1S,2R,3S,5S)-2-[2-(Benzyloxy)ethyl]-6,6-dimethylbicyclo[3.1.1]heptan-3-yl}-9-borabicyclo[3.3.1]nonane

Chemical Property of NB-Enantrane

Chemical Property:

• Boiling Point: 471.8 °C at 760 mmHg
• Flash Point: 239.1 °C
• PSA: 9.23000
• Density: 1.01 g/cm³
• LogP: 7.24870
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 378.3093960
• Heavy Atom Count: 28
• Complexity: 503

Purity/Quality:

99.90% ^*data from raw suppliers

9-Bbn-nopol benzyl etheradduct ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; Xn
• Hazard Codes: F,Xn
• Statements: 11-19-22-36/37/38
• Safety Statements: 16-26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: B1(C2CCCC1CCC2)C3CC4CC(C3CCOCC5=CC=CC=C5)C4(C)C
• Isomeric SMILES: B1(C2CCCC1CCC2)[C@H]3C[C@H]4C[C@@H]([C@@H]3CCOCC5=CC=CC=C5)C4(C)C