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α-Methyl-L-proline - >96.0%(T), high purity , CAS No.42856-71-3

1 Citations

COA

Grade & Purity:

≥96%(T)

Cas Number: 42856-71-3
Molecular Weight: 129.16
MDL number: MFCD01318647
PubChem CID: 6993664

In stock

Item Number

A151336

Grouped product items
SKU	Size	Availability	Price
A151336-250mg	250mg	3	$78.90
A151336-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
A151336-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$836.90
A151336-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,762.90

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Five-Membered Heterocyclic Compounds (2064) Proline derivative (69)

Basic Description

Synonyms	Methyl 3,4,5-trimethoxyanthranilate, 99% \| PD196071 \| A6951 \| DTXSID001316010 \| AC-23328 \| (S)-2-methyl-pyrrolidine-2-carboxylic acid \| (S)-2-methylpyrrolidine-2-carboxylic acid \| H--Me-Pro-OH \| AKOS016842490 \| 2-Methylproline \| BCP18010 \| Calpha-methylpr
Specifications & Purity	≥96%(T)
Shipped In	Normal

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 Alpha amino acids and derivatives
        Level7 Alpha amino acids
        Level8 D-alpha-amino acids

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 - Alpha amino acids and derivatives - Alpha amino acids
Direct Parent	D-alpha-amino acids
Alternative Parents	Pyrrolidine carboxylic acids Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	D-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-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	(2S)-2-methylpyrrolidine-2-carboxylic acid
INCHI	InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
InChIKey	LWHHAVWYGIBIEU-LURJTMIESA-N
Smiles	CC1(CCCN1)C(=O)O
Isomeric SMILES	C[C@]1(CCCN1)C(=O)O
WGK Germany	3
Molecular Weight	129.16
Reaxy-Rn	471641
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471641&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E1905013	Certificate of Analysis	Feb 13, 2023	A151336

Chemical and Physical Properties

Solubility	Soluble in Methanol
Specific Rotation[α]	-73° (C=1,MeOH)
Melt Point(°C)	310°C
Molecular Weight	129.160 g/mol
XLogP3	-2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	129.079 Da
Monoisotopic Mass	129.079 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	135.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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