spiro[indene-1,4'-piperidine] - ≥97% , CAS No.33042-66-9

CAS: 33042-66-9 Cat. No.: S638208 Molecular Weight: 185.26 PubChem CID: 10330052

GRADE & PURITY ≥97%

Synonyms

SB36636 | Spiro[1H-indene-1,4'-piperidine];Spiro[indene-1,4'-piperidine] | BCP27065 | Spiro[indene-1,4 inverted exclamation mark -piperidine] | Spiro[indene-1,4'-piperidine] | EN300-225779 | AM20040186 | SY036185 | FT-0715740 | DTXSID20438169 | MFCD087058

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SB36636 | Spiro[1H-indene-1, 4'-piperidine];Spiro[indene-1, 4'-piperidine] | BCP27065 | Spiro[indene-1, 4 inverted exclamation mark -piperidine] | Spiro[indene-1, 4'-piperidine] | EN300-225779 | AM20040186 | SY036185 | FT-0715740 | DTXSID20438169 | MFCD087058

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: C1CNCCC12C=CC3=CC=CC=C23
• IUPAC Name: spiro[indene-1,4'-piperidine]
• InChIKey: QXNXVWNYCKUANQ-UHFFFAOYSA-N
• INCHI: 1S/C13H15N/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13/h1-6,14H,7-10H2
• Isomeric SMILES: C1CNCCC12C=CC3=CC=CC=C23
• Alternate CAS: 33042-66-9
• PubChem CID: 10330052
• Molecular Weight: 185.26

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: Aralkylamines Piperidines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indene - Aralkylamine - Piperidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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: 185.260 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.12 Da
• Monoisotopic Mass: 185.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 238.000
• 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