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Methyl 4-aminobutyrate hydrochloride - 10mM in DMSO, high purity , CAS No.13031-60-2

1 Citations

COA

Grade & Purity:

10mM in DMSO

Cas Number: 13031-60-2
Molecular Weight: 153.61
Beilstein Registry Number: 3558996
PubChem CID: 2756383

In stock

Item Number

M421180

Grouped product items
SKU	Size	Availability	Price	Qty
M421180-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

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Compound libraries (12325)

Basic Description

Synonyms	13031-60-2 \| Methyl 4-aminobutanoate Hydrochloride \| Methyl 4-aminobutyrate hydrochloride \| H- \| A-Abu-OMe.HCl \| methyl 4-aminobutanoate hcl \| Methyl 4-aminobutyrate HCl \| 4-Aminobutyric acid methyl ester hydrochloride \| Methyl 4-aminobutyrate, HCl \| MFCD00043270 \| Methyl 4-
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Dry ice packs + Cold packs This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Gamma amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Gamma amino acids and derivatives
Alternative Parents	Fatty acid methyl esters Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Gamma amino acid or derivatives - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Organic salt - Organic chloride salt - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
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	methyl 4-aminobutanoate;hydrochloride
INCHI	InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKey	WPGPRLVPWACBHW-UHFFFAOYSA-N
Smiles	COC(=O)CCCN.Cl
Isomeric SMILES	COC(=O)CCCN.Cl
WGK Germany	3
RTECS	ES7065000
Molecular Weight	153.61
Beilstein	3558996
Reaxy-Rn	3558996
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3558996&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	124°C
Molecular Weight	153.610 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	153.056 Da
Monoisotopic Mass	153.056 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	72.800
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	2

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