Spiro[isochroman-1,4'-piperidine] hydrochloride - ≥95% , CAS No.173943-98-1

CAS: 173943-98-1 Cat. No.: S191543 Peso molecular: 239.74 PubChem CID: 53350303

GRADE & PURITY ≥95%

Synonyms

spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride | DTXSID50693587 | AM20030155 | FT-0703259 | YGA94398 | 3,4-dihydrospiro[2-benzopyran-1,4'-piperidine] hydrochloride | 3,4-Dihydrospiro[2-benzopyran-1,4'-piperidine]--hydrogen chloride (1/1) | sp

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

spiro[3, 4-dihydroisochromene-1, 4'-piperidine];hydrochloride | DTXSID50693587 | AM20030155 | FT-0703259 | YGA94398 | 3, 4-dihydrospiro[2-benzopyran-1, 4'-piperidine] hydrochloride | 3, 4-Dihydrospiro[2-benzopyran-1, 4'-piperidine]--hydrogen chloride (1/1) | sp

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1COC2(CCNCC2)C3=CC=CC=C31.Cl
• IUPAC Name: spiro[3,4-dihydroisochromene-1,4'-piperidine];hydrochloride
• InChIKey: XWYYADXYFYGPPO-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO.ClH/c1-2-4-12-11(3-1)5-10-15-13(12)6-8-14-9-7-13;/h1-4,14H,5-10H2;1H
• Isómeros SMILES: C1COC2(CCNCC2)C3=CC=CC=C31.Cl
• PubChem CID: 53350303
• Peso molecular: 239.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 2-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 2-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzopyrans
• Alternative Parents: Aralkylamines Piperidines Benzenoids Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzopyran - Aralkylamine - Piperidine - Benzenoid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
• 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: 239.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.108 Da
• Monoisotopic Mass: 239.108 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• 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

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