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1-Methylindole-3-carboxaldehyde - 97%, high purity , CAS No.19012-03-4

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 19012-03-4
Molecular Weight: 159.18
EC Number: 242-750-3
MDL number: MFCD00014570
PubChem CID: 87894
PubChem SID: 488186454

In stock

Item Number

M113643

Grouped product items
SKU	Size	Availability	Price
M113643-1g	1g	9	$40.90
M113643-5g	5g	9	$154.90
M113643-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$238.90
M113643-25g	25g	6	$457.90
M113643-100g	100g	4	$1,648.90

Basic Description

Synonyms	3-Formyl-1-methylindole \| N-Methyl-3-formylindole \| 4-(5-bromopyridin-2-ylamino)-4-oxobutanoic acid \| BB 0255019 \| 1-Methyl-3-formylindole \| MLS000718559 \| N-Methylindole-3-aldehyde \| Q63409361 \| FT-0630302 \| STK280622 \| 1H-Indole-3-carboxaldehyde, 1-meth
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	It's a heterocyclic indole aldehyde. Used as a reactant for preparation of several reagents,such as indolyl alkenes, quinolinones, thiazolopyrimidinones,vinylindoles,nitroolefins,β-nitroalcohols,and so on.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass N-alkylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	N-alkylindoles
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylindoles
Alternative Parents	Indoles Aryl-aldehydes N-methylpyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-alkylindole - Indole - Aryl-aldehyde - N-methylpyrrole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
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)

IMPDH2 Tclin Inosine-5'-monophosphate dehydrogenase 2 (1326 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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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	488186454
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186454
IUPAC Name	1-methylindole-3-carbaldehyde
INCHI	InChI=1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKey	KXYBYRKRRGSZCX-UHFFFAOYSA-N
Smiles	CN1C=C(C2=CC=CC=C21)C=O
Isomeric SMILES	CN1C=C(C2=CC=CC=C21)C=O
WGK Germany	3
Molecular Weight	159.18
Reaxy-Rn	121302
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121302&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
D2319385	Certificate of Analysis	Jan 09, 2025	M113643
D2319380	Certificate of Analysis	Jan 08, 2025	M113643
G2408134	Certificate of Analysis	Jun 12, 2024	M113643
G2408135	Certificate of Analysis	Jun 12, 2024	M113643
F2208084	Certificate of Analysis	Mar 19, 2024	M113643
F2208083	Certificate of Analysis	Mar 19, 2024	M113643
I1514025	Certificate of Analysis	Jun 07, 2023	M113643
D2319835	Certificate of Analysis	Apr 27, 2023	M113643
A2424034	Certificate of Analysis	Mar 20, 2022	M113643

Chemical and Physical Properties

Solubility	Insoluble in water.
Sensitivity	Air sensitive
Melt Point(°C)	68-72°C
Molecular Weight	159.180 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	159.068 Da
Monoisotopic Mass	159.068 Da
Topological Polar Surface Area	22.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181.000
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

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1-Methylindole-3-carboxaldehyde - 97%, high purity , CAS No.19012-03-4

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Chemical and Physical Properties

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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