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Methyl 1-Methylpyrrole-2-acetate - 98%, high purity , CAS No.51856-79-2

COA

Grade & Purity:

≥98%

Cas Number: 51856-79-2
Molecular Weight: 153.18
MDL number: MFCD00009752
PubChem CID: 103992
PubChem SID: 488187336

In stock

Item Number

M193714

Grouped product items
SKU	Size	Availability	Price
M193714-5g	5g	4	$25.90
M193714-25g	25g	3	$121.90
M193714-100g	100g	3	$437.90

View related series

azole (525) Halogen free heterocyclic block (1207)

Basic Description

Synonyms	BBL027764 \| Methyl 1-methyl-2-pyrroleacetate; \| AMY38129 \| N-Methylpyrrole-2-acetic acid methyl ester \| Benzenamine,6-dichloro-4-nitro- \| BRD-K54833908-001-01-5 \| m-Nitrotoluene, liquid or solid [UN1664] [Poison] \| W-105862 \| methyl 2-(N-methyl-1H-pyrrol
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles
      - Level5 N-substituted pyrroles
        Level6 N-methylpyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	N-substituted pyrroles
Direct Parent	N-methylpyrroles
Alternative Parents	Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-methylpyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated 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	488187336
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187336
IUPAC Name	methyl 2-(1-methylpyrrol-2-yl)acetate
INCHI	InChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3
InChIKey	CGYVDYLHQYNGFC-UHFFFAOYSA-N
Smiles	CN1C=CC=C1CC(=O)OC
Isomeric SMILES	CN1C=CC=C1CC(=O)OC
Molecular Weight	153.18
Reaxy-Rn	388073
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388073&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
I2201714	Certificate of Analysis	Jun 10, 2025	M193714
I2201784	Certificate of Analysis	Jun 10, 2025	M193714
I2201777	Certificate of Analysis	Jun 10, 2025	M193714

Chemical and Physical Properties

Refractive Index	1.5
Flash Point(°C)	106 °C
Boil Point(°C)	85 °C/2 mmHg
Molecular Weight	153.180 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	153.079 Da
Monoisotopic Mass	153.079 Da
Topological Polar Surface Area	31.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147.000
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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