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1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride - ≥95%, high purity , CAS No.953409-03-5

COA

Grade & Purity:

≥95%

Cas Number: 953409-03-5
Molecular Weight: 231.67
PubChem CID: 49763009

In stock

Item Number

P733016

Grouped product items
SKU	Size	Availability	Price	Qty
P733016-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$147.90
P733016-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$482.90

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 Proline 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 - Alpha amino acids and derivatives
Direct Parent	Proline and derivatives
Alternative Parents	Alpha amino acids Pyrrolidine carboxylic acids Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Furans Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Proline or derivatives - Alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - N-alkylpyrrolidine - Furan - Heteroaromatic compound - Pyrrolidine - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Hydrochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
INCHI	InChI=1S/C10H13NO3.ClH/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8;/h2-3,6,9H,1,4-5,7H2,(H,12,13);1H
InChIKey	PMFUFBSNJQYOIJ-UHFFFAOYSA-N
Smiles	C1CC(N(C1)CC2=CC=CO2)C(=O)O.Cl
Isomeric SMILES	C1CC(N(C1)CC2=CC=CO2)C(=O)O.Cl
PubChem CID	49763009
Molecular Weight	231.67

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.670 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	231.066 Da
Monoisotopic Mass	231.066 Da
Topological Polar Surface Area	53.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	219.000
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	2

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