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1-Methyl-2-oxopyrrolidine-4-carboxamidine Hydrochloride - ≥95%, high purity , CAS No.1272756-18-9

COA

Grade & Purity:

≥95%

Cas Number: 1272756-18-9
Molecular Weight: 177.63
PubChem CID: 55292019

In stock

Item Number

M733963

Grouped product items
SKU	Size	Availability	Price	Qty
M733963-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$548.90
M733963-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,424.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass N-alkylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	N-alkylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylpyrrolidines
Alternative Parents	Pyrrolidine-2-ones Tertiary carboxylic acid amides Tertiary amines Lactams Amino acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid amidine - Azacycle - Carboxylic acid derivative - Amidine - Carboximidamide - Organonitrogen compound - Hydrochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. 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-methyl-5-oxopyrrolidine-3-carboximidamide;hydrochloride
INCHI	InChI=1S/C6H11N3O.ClH/c1-9-3-4(6(7)8)2-5(9)10;/h4H,2-3H2,1H3,(H3,7,8);1H
InChIKey	WCJJEIRORBGPRM-UHFFFAOYSA-N
Smiles	CN1CC(CC1=O)C(=N)N.Cl
Isomeric SMILES	CN1CC(CC1=O)C(=N)N.Cl
PubChem CID	55292019
Molecular Weight	177.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.630 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	177.067 Da
Monoisotopic Mass	177.067 Da
Topological Polar Surface Area	70.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178.000
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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