2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid… 186038-82-4

Name: 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester
Brand: Vaqora Chemicals
SKU: VQ-041642

About 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester

Vaqora Chemicals supplies 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester, an impurity of Pregabalin registered under CAS number 186038-82-4. Formula C13H21NO4, molecular weight 255.31 g/mol. Systematically, it is named diethyl 2-(1-cyano-3-methylbutyl)propanedioate. It is also known as Diethyl 2-(1-cyano-3-methylbutyl)malonate or Diethyl (1-cyano-3-methylbutyl)propanedioate.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. It carries the GHS signal word “Warning” with 2 hazard statements. Review the Safety Data Sheet before use.

This Pregabalin impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Pregabalin

View every impurity, metabolite and intermediate we list for Pregabalin.

Pregabalin impurities

Specifications & identifiers

Chemical identifiers
Product name	2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester
Catalogue No.	VQ-041642
CAS Number	186038-82-4
IUPAC name	diethyl 2-(1-cyano-3-methylbutyl)propanedioate
Molecular formula	C₁₃H₂₁NO₄
Molecular weight	255.31 g/mol
Exact mass	255.1471
Grade	Reference Standard
HSN code	38229090
InChIKey	PZGIWBPMOSUKEV-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C(CC(C)C)C#N)C(=O)OCC
PubChem CID	11666030

Physical properties
Physical form	Solid
LogP (XLogP3)	2.3
H-bond donors / acceptors	0 / 5
TPSA	76.4 Å²
Synonyms	Diethyl 2-(1-cyano-3-methylbutyl)malonate, Diethyl (1-cyano-3-methylbutyl)propanedioate, Diethyl 2-(1-cyano-3-methyl-butyl)propanedioate, 1-cyano-3-methyl butylpropanedioic acid diethyl ester, Diethyl2-(1-cyano-3-methylbutyl)malonate, (r/s)-3-cyano-2-ethoxycarbonyl-5-methyl-hexanoic acid ethyl ester

Safety & hazard information (GHS)

Environmental hazard

Signal word: Warning

Hazard statements

H320Causes eye irritation
H411Toxic to aquatic life with long lasting effects

Precautionary statements: P264 + P265, P273, P305 + P351 + P338, P337 + P317, P391, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester?

The CAS Registry Number of 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester is 186038-82-4. It is also known as Diethyl 2-(1-cyano-3-methylbutyl)malonate, Diethyl (1-cyano-3-methylbutyl)propanedioate, Diethyl 2-(1-cyano-3-methyl-butyl)propanedioate.

What is the molecular formula and molecular weight of 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester?

2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is diethyl 2-(1-cyano-3-methylbutyl)propanedioate.

What is 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester used for?

2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester is supplied as a characterised reference material related to Pregabalin. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester can I order?

We supply 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester?

Yes. Every lot of 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester be shipped internationally?

Yes. 2-Carboxy Ethyl 3 Cyano-5 Methyl Hexanoicacid Ethyl Ester is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.