tert-butyl (1S,5S)-2,6-diazabicyclo[3.2.0]heptane-6-carboxylate - ≥97% , CAS No.2454490-81-2

CAS: 2454490-81-2 Cat. No.: T677968 Molecular Weight: 198.26 PubChem CID: 97290175

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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%

Product Properties

• ALogP: 0.7

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCN2
• InChIKey: BDVMAANWMDTLFP-YUMQZZPRSA-N
• INCHI: 1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-8(12)4-5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCN2
• PubChem CID: 97290175
• Molecular Weight: 198.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazepanes
      • Subclass 1,4-diazepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazepanes
• Subclass: 1,4-diazepanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-diazepanes
• Alternative Parents: Azetidinecarboxylic acids Pyrrolidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: 1,4-diazepane - Azetidinecarboxylic acid - Pyrrolidine - Carbamic acid ester - Azetidine - Secondary aliphatic amine - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
• 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