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4-(1-Pyrrolidino)benzaldehyde - 97%, high purity , CAS No.51980-54-2

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4-(1-Pyrrolidino)benzaldehyde - 97%, high purity , CAS No.51980-54-2

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 51980-54-2
Molecular Weight: 175.23
Beilstein Registry Number: 20(4)172
EC Number: 257-570-0
MDL number: MFCD00015469
PubChem CID: 104037
PubChem SID: 504756555

In stock

Item Number

P106865

Grouped product items
SKU	Size	Availability	Price
P106865-1g	1g	3	$37.90
P106865-5g	5g	3	$166.90
P106865-25g	25g	2	$750.90
P106865-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,700.90

View related series

Halogen free heterocyclic block (1207) Pyrrolidines (140)

Basic Description

Synonyms	Z57127459 \| 4-pyrrolidinobenzaldehyde \| F0679 \| FT-0616490 \| SCHEMBL253732 \| A828869 \| DTXSID40199942 \| PS-3693 \| 4-(1-Pyrrolidino)benzaldehyde \| 4-pyrrolidin-1-ylbenzaldehyde \| 4-Pyrrolidin-1-yl-benzaldehyde \| J-513854 \| EN300-39417 \| STR02263 \| BB 02177
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Dialkylarylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Pyrroles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Pyrrole - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. 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

Associated Targets(Human)

TRIM24 Tchem Transcription intermediary factor 1-alpha (2 Activities)

Discover Target: TRIM24

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (2 Activities)

Discover Target: TRIM33

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (162 Activities)

Discover Target: TRIM33

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504756555
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756555
IUPAC Name	4-pyrrolidin-1-ylbenzaldehyde
INCHI	InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2
InChIKey	DATXHLPRESKQJK-UHFFFAOYSA-N
Smiles	C1CCN(C1)C2=CC=C(C=C2)C=O
Isomeric SMILES	C1CCN(C1)C2=CC=C(C=C2)C=O
WGK Germany	3
Molecular Weight	175.23
Beilstein	20(4)172
Reaxy-Rn	135279
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135279&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
C23241007	Certificate of Analysis	Dec 10, 2024	P106865
D2307494	Certificate of Analysis	Dec 10, 2024	P106865
J2129754	Certificate of Analysis	Aug 17, 2023	P106865
J2129755	Certificate of Analysis	Aug 17, 2023	P106865
J1512058	Certificate of Analysis	Apr 11, 2023	P106865

Chemical and Physical Properties

Melt Point(°C)	83-86°C
Molecular Weight	175.230 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	175.1 Da
Monoisotopic Mass	175.1 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	167.000
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

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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