Clorhidrato de espiro[indolina-3,4'-piperidina]-1-carboxilato de bencilo - ≥95% , CAS No.159635-46-8

CAS: 159635-46-8 Cat. No.: B191218 Peso molecular: 358.86

GRADE & PURITY ≥95%

Synonyms

Benzyl spiro[indole-3,4'-piperidine]-1(2H)-carboxylate--hydrogen chloride (1/1) | 1-N-Cbz-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]HCl;benzyl spiro[indoline-3,4'-piperidine]-1-carboxylate hydrochloride;Benzyl spiro[indoline-3,4'-piperidine]-1-carboxyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzyl spiro[indole-3, 4'-piperidine]-1(2H)-carboxylate--hydrogen chloride (1/1) | 1-N-Cbz-1, 2-dihydro-1'H-spiro[indole-3, 4'-piperidine]HCl;benzyl spiro[indoline-3, 4'-piperidine]-1-carboxylate hydrochloride;Benzyl spiro[indoline-3, 4'-piperidine]-1-carboxyl

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC12CN(C3=CC=CC=C23)C(=O)OCC4=CC=CC=C4.Cl
• IUPAC Name: benzyl spiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride
• InChIKey: RYRYYTKTCIUNOB-UHFFFAOYSA-N
• INCHI: 1S/C20H22N2O2.ClH/c23-19(24-14-16-6-2-1-3-7-16)22-15-20(10-12-21-13-11-20)17-8-4-5-9-18(17)22;/h1-9,21H,10-15H2;1H
• Isómeros SMILES: C1CNCCC12CN(C3=CC=CC=C23)C(=O)OCC4=CC=CC=C4.Cl
• Peso molecular: 358.86
• Reaxy-Rn: 13597653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13597653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Benzyloxycarbonyls Aralkylamines Piperidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Benzyloxycarbonyl - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• 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: 358.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 358.145 Da
• Monoisotopic Mass: 358.145 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 441.000
• 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: 2

XLogP3