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3,4-dimethyl-1H-pyrrole - 97%, high purity , CAS No.822-51-5

COA

Grade & Purity:

≥97%

Cas Number: 822-51-5
Molecular Weight: 95.145
PubChem CID: 5324584

In stock

Item Number

D177526

Grouped product items
SKU	Size	Availability	Price	Qty
D177526-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$465.90

Basic Description

Synonyms	3,4-dimethyl-1H-pyrrole \| 822-51-5 \| 3,4-DIMETHYLPYRROLE \| 1H-Pyrrole, 3,4-dimethyl- \| MFCD03427290 \| 125227-77-2 \| 3,4-dimethyl-1H-pyrrol \| DTXSID70415920 \| OJFOWGWQOFZNNJ-UHFFFAOYSA-N \| AMY33665 \| AKOS006276421 \| PB27606 \| AS-57922 \| SY042377 \| CS-0051606 \| EN300-85054 \| A864434 \| Z1198
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Substituted pyrroles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
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	3,4-dimethyl-1H-pyrrole
INCHI	InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-4,7H,1-2H3
InChIKey	OJFOWGWQOFZNNJ-UHFFFAOYSA-N
Smiles	CC1=CNC=C1C
Isomeric SMILES	CC1=CNC=C1C
Molecular Weight	95.145
Reaxy-Rn	105262
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105262&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	95.140 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	95.0735 Da
Monoisotopic Mass	95.0735 Da
Topological Polar Surface Area	15.800 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	53.200
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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