exo-3-(boc-amino)-9-azabicyclo[3.3.1]nonane - ≥97% , CAS No.599165-35-2

CAS: 599165-35-2 Cat. No.: E176896 Peso molecular: 240.3419

GRADE & PURITY ≥97%

Synonyms

TERT-BUTYL (3-EXO)-9-AZABICYCLO[3.3.1]NON-3-YLCARBAMATE HCL | (3-exo)-tert-Butyl 9-azabicyclo[3.3.1]nonan-3-ylcarbamate | Carbamic acid, N-(3-endo)-9-azabicyclo[3.3.1]non-3-yl-, 1,1-dimethylethyl ester | MFCD19707046 | ZYA16535 | A883640 | AKOS024463272 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

TERT-BUTYL (3-EXO)-9-AZABICYCLO[3.3.1]NON-3-YLCARBAMATE HCL | (3-exo)-tert-Butyl 9-azabicyclo[3.3.1]nonan-3-ylcarbamate | Carbamic acid, N-(3-endo)-9-azabicyclo[3.3.1]non-3-yl-, 1, 1-dimethylethyl ester | MFCD19707046 | ZYA16535 | A883640 | AKOS024463272 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2
• IUPAC Name: tert-butyl N-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
• InChIKey: HWPHWBRCRWNTLX-ZACCUICWSA-N
• INCHI: 1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-7-9-5-4-6-10(8-11)14-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11?
• Isómeros SMILES: CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2
• Peso molecular: 240.3419
• Reaxy-Rn: 37914127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37914127&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 240.340 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.184 Da
• Monoisotopic Mass: 240.184 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 274.000
• 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