tert-Butyl spiro[indene-1,4'-piperidine]-1'-carboxylate - ≥95% , CAS No.137419-24-0

CAS: 137419-24-0 Cat. No.: T587095 Molecular Weight: 285.39 PubChem CID: 3653579

GRADE & PURITY ≥95%

Synonyms

5W-0327 | SCHEMBL1577665 | Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 1,1-dimethylethyl ester | FT-0736710 | 1'-(tert-butyloxycarbonyl)spiro[indene-1,4'-piperidine] | MFCD03160565 | 1'-Boc-spiro[indene-1,4'-piperidine] | PB40454 | tert-Butyl1'H-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

5W-0327 | SCHEMBL1577665 | Spiro[1H-indene-1, 4'-piperidine]-1'-carboxylic acid, 1, 1-dimethylethyl ester | FT-0736710 | 1'-(tert-butyloxycarbonyl)spiro[indene-1, 4'-piperidine] | MFCD03160565 | 1'-Boc-spiro[indene-1, 4'-piperidine] | PB40454 | tert-Butyl1'H-

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504762652
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762652
• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2(CC1)C=CC3=CC=CC=C23
• IUPAC Name: tert-butyl spiro[indene-1,4'-piperidine]-1'-carboxylate
• InChIKey: HRTHPQOIDCOMHE-UHFFFAOYSA-N
• INCHI: 1S/C18H23NO2/c1-17(2,3)21-16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18/h4-9H,10-13H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C=CC3=CC=CC=C23
• Alternate CAS: 137419-24-0
• PubChem CID: 3653579
• Molecular Weight: 285.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Piperidinecarboxylic acids Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Piperidinecarboxylic acid - Indene - Piperidine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene 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

Chemical and Physical Properties

• Molecular Weight: 285.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 285.173 Da
• Monoisotopic Mass: 285.173 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 427.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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