Spiro[isochroman-1,4'-piperidine] - ≥97% , CAS No.180160-97-8

CAS: 180160-97-8 Cat. No.: S191645 Molecular Weight: 203.28 EC Number: 851-842-8 PubChem CID: 15187050

GRADE & PURITY ≥97%

Synonyms

FT-0728986 | MFCD16876099 | SKFZSJIOAVSXCU-UHFFFAOYSA-N | DTXSID10569830 | 3,4-dihydrospiro[2-benzopyran-1,4'-piperidine] | EN300-128483 | spiro[isochroman-1,4/'-piperidine] | Z1509150727 | AKOS015900050 | SCHEMBL1588897 | AM20030197 | 3,4-Dihydrospiro[is

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

FT-0728986 | MFCD16876099 | SKFZSJIOAVSXCU-UHFFFAOYSA-N | DTXSID10569830 | 3, 4-dihydrospiro[2-benzopyran-1, 4'-piperidine] | EN300-128483 | spiro[isochroman-1, 4/'-piperidine] | Z1509150727 | AKOS015900050 | SCHEMBL1588897 | AM20030197 | 3, 4-Dihydrospiro[is

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%

Names and Identifiers

• Canonical Smiles: C1COC2(CCNCC2)C3=CC=CC=C31
• IUPAC Name: spiro[3,4-dihydroisochromene-1,4'-piperidine]
• InChIKey: SKFZSJIOAVSXCU-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO/c1-2-4-12-11(3-1)5-10-15-13(12)6-8-14-9-7-13/h1-4,14H,5-10H2
• Isomeric SMILES: C1COC2(CCNCC2)C3=CC=CC=C31
• PubChem CID: 15187050
• Molecular Weight: 203.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzopyran - Aralkylamine - Piperidine - Benzenoid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Azacycle - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 203.280 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 203.131 Da
• Monoisotopic Mass: 203.131 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 15
• 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: 1