The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride - 97%, high purity , CAS No.37663-44-8
Basic Description
Synonyms
3,4-Dichloranilid kyseliny propionove [Czech] | 3H-Spiro(isobenzofuran-1,4-piperidine)HCl | 3H-SPIRO(isobenzofuran-1?4-piperidine?hydrochloride | 3H-Spiro[isobenzofuran-1,4 inverted exclamation mark -piperidine] Hydrochloride | SFQFBDOOIIHNMY-UHFFFAOYSA-N
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Isobenzofurans Aralkylamines Piperidines Benzenoids Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Isobenzofuran - Aralkylamine - Piperidine - Benzenoid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran 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.
Names and Identifiers
IUPAC Name
spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
INCHI
InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H
InChIKey
SFQFBDOOIIHNMY-UHFFFAOYSA-N
Smiles
C1CNCCC12C3=CC=CC=C3CO2.Cl
Isomeric SMILES
C1CNCCC12C3=CC=CC=C3CO2.Cl
Alternate CAS
37663-44-8
PubChem CID
22509330
Molecular Weight
225.72
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
225.710 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
225.092 Da
Monoisotopic Mass
225.092 Da
Topological Polar Surface Area
21.300 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
210.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
