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2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde - ≥95%, high purity , CAS No.937796-10-6

COA

Grade & Purity:

≥95%

Cas Number: 937796-10-6
Molecular Weight: 177.21
PubChem CID: 24229766

In stock

Item Number

P731254

Grouped product items
SKU	Size	Availability	Price	Qty
P731254-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$508.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Dialkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Dialkylarylamines
Alternative Parents	Aryl-aldehydes Aminopyrimidines and derivatives Pyrrolidines Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Aryl-aldehyde - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
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	2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
INCHI	InChI=1S/C9H11N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h5-7H,1-4H2
InChIKey	KJMKROLYLRRJDN-UHFFFAOYSA-N
Smiles	C1CCN(C1)C2=NC=C(C=N2)C=O
Isomeric SMILES	C1CCN(C1)C2=NC=C(C=N2)C=O
PubChem CID	24229766
Molecular Weight	177.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.200 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	177.09 Da
Monoisotopic Mass	177.09 Da
Topological Polar Surface Area	46.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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