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1，3-dimethylpyrrolidine-3-carboxylic acid - ≥98%, high purity , CAS No.912771-28-9

COA

Grade & Purity:

≥98%

Cas Number: 912771-28-9
Molecular Weight: 143.19
PubChem CID: 43811465

In stock

Item Number

D731979

Grouped product items
SKU	Size	Availability	Price
D731979-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$190.90
D731979-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90
D731979-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$871.90
D731979-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,296.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	N-alkylpyrrolidines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - N-alkylpyrrolidine - Amino acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	1,3-dimethylpyrrolidine-3-carboxylic acid
INCHI	InChI=1S/C7H13NO2/c1-7(6(9)10)3-4-8(2)5-7/h3-5H2,1-2H3,(H,9,10)
InChIKey	NQIXAABODWHHFU-UHFFFAOYSA-N
Smiles	CC1(CCN(C1)C)C(=O)O
Isomeric SMILES	CC1(CCN(C1)C)C(=O)O
PubChem CID	43811465
Molecular Weight	143.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	143.180 g/mol
XLogP3	-2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.095 Da
Monoisotopic Mass	143.095 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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