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Octahydro-1H-isoindole - 97%, high purity , CAS No.21850-12-4

COA

Grade & Purity:

≥97%

Cas Number: 21850-12-4
Molecular Weight: 125.21
EC Number: 810-717-8
PubChem CID: 409979
PubChem SID: 504758646

In stock

Item Number

O192077

Grouped product items
SKU	Size	Availability	Price
O192077-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
O192077-5g	5g	3	$20.90
O192077-25g	25g	2	$89.90
O192077-100g	100g	2	$325.90

View related series

Class A GPCR (4138)

Basic Description

Synonyms	Octahydro-1H-isoindole \| DTXSID7060124 \| SCHEMBL258635 \| AS-13484 \| 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole \| BCP04297 \| A815695 \| J-520092 \| FT-0658742 \| CHEBI:156302 \| STK329072 \| 1H-Isoindole, octahydro- \| Z1198161702 \| perhydroisoindole \| cis-octahyd
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoindoles
Alternative Parents	Isoindolines Pyrrolidines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Isoindole - Isoindoline - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504758646
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758646
IUPAC Name	2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
INCHI	InChI=1S/C8H15N/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H2
InChIKey	ODSNARDHJFFSRH-UHFFFAOYSA-N
Smiles	C1CCC2CNCC2C1
Isomeric SMILES	C1CCC2CNCC2C1
Alternate CAS	21850-12-4
Molecular Weight	125.21
Reaxy-Rn	103557
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103557&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
E2230035	Certificate of Analysis	Mar 03, 2025	O192077
E2230037	Certificate of Analysis	Mar 03, 2025	O192077
E2230034	Certificate of Analysis	Mar 03, 2025	O192077

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	125.210 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	125.12 Da
Monoisotopic Mass	125.12 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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