Endo-8-(tert-butyl) 3-methyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate - ≥97% , CAS No.1548548-51-1

CAS: 1548548-51-1 Cat. No.: O629660 Molecular Weight: 269.34

GRADE & PURITY ≥97%

Synonyms

Methyl endo-8-Boc-8-azabicyclo[3.2.1]octane-3-carboxylate | O8-tert-butyl O3-methyl endo-8-azabicyclo[3.2.1]octane-3,8-dicarboxylate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Methyl endo-8-Boc-8-azabicyclo[3.2.1]octane-3-carboxylate | O8-tert-butyl O3-methyl endo-8-azabicyclo[3.2.1]octane-3, 8-dicarboxylate

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)C(=O)OC
• IUPAC Name: 8-O-tert-butyl 3-O-methyl (1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylate
• InChIKey: AMBCTFGOVMCGIL-FGWVZKOKSA-N
• INCHI: 1S/C14H23NO4/c1-14(2,3)19-13(17)15-10-5-6-11(15)8-9(7-10)12(16)18-4/h9-11H,5-8H2,1-4H3/t9?,10-,11+
• Isomeric SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)C(=O)OC
• Molecular Weight: 269.34
• Reaxy-Rn: 22445559
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22445559&ln=

Chemical and Physical Properties

• Molecular Weight: 269.340 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 269.163 Da
• Monoisotopic Mass: 269.163 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1