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(S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxaMide - ≥97%, high purity , CAS No.214398-99-9

COA

Grade & Purity:

≥97%

Cas Number: 214398-99-9
Molecular Weight: 190.63
PubChem CID: 11816344

In stock

Item Number

P726320

Grouped product items
SKU	Size	Availability	Price	Qty
P726320-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$329.90
P726320-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$988.90

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 acid amides Pyrrolidinecarboxamides N-acylpyrrolidines Tertiary carboxylic acid amides Chloroacetamides Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Proline or derivatives - Alpha-amino acid amide - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Chloroacetamide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aliphatic 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	(2S)-1-(2-chloroacetyl)pyrrolidine-2-carboxamide
INCHI	InChI=1S/C7H11ClN2O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4H2,(H2,9,12)/t5-/m0/s1
InChIKey	YKDRUBGIBPCRBH-YFKPBYRVSA-N
Smiles	C1CC(N(C1)C(=O)CCl)C(=O)N
Isomeric SMILES	C1C[C@H](N(C1)C(=O)CCl)C(=O)N
PubChem CID	11816344
Molecular Weight	190.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.630 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	190.051 Da
Monoisotopic Mass	190.051 Da
Topological Polar Surface Area	63.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	208.000
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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