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2,3-dihydro-5-[(4-methyl-1-piperazinyl)methyl]-1H-Isoindole - 97%, high purity , CAS No.912999-93-0

COA

Grade & Purity:

≥97%

Cas Number: 912999-93-0
Molecular Weight: 231.34
PubChem CID: 11955819

In stock

Item Number

D636134

Grouped product items
SKU	Size	Availability	Price
D636134-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
D636134-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90
D636134-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$292.90

Basic Description

Synonyms	912999-93-0 \| 5-((4-METHYLPIPERAZIN-1-YL)METHYL)ISOINDOLINE \| 5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole \| 2,3-dihydro-5-[(4-methyl-1-piperazinyl)methyl]-1H-Isoindole \| 5-((4-Methylpiperazin-1-yl)methyl)-2,3-dihydro-1H-isoindole \| 5-(4-Me
Specifications & Purity	≥97%
Shipped In	Normal

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 N-methylpiperazines Aralkylamines Benzenoids Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoindoline - Isoindole - N-methylpiperazine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Secondary aliphatic amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic 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

IUPAC Name	5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
INCHI	InChI=1S/C14H21N3/c1-16-4-6-17(7-5-16)11-12-2-3-13-9-15-10-14(13)8-12/h2-3,8,15H,4-7,9-11H2,1H3
InChIKey	JRYCDLRMCRIXHZ-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)CC2=CC3=C(CNC3)C=C2
Isomeric SMILES	CN1CCN(CC1)CC2=CC3=C(CNC3)C=C2
PubChem CID	11955819
Molecular Weight	231.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.340 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	231.174 Da
Monoisotopic Mass	231.174 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	248.000
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

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