5-[[Methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol , CAS No.766454-72-2

CAS: 766454-72-2 Cat. No.: M668989 Molecular Weight: 226.27 EC Number: 694-734-4
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Synonyms
VAR-10300 | 5-((Methyl(prop-2-yn-1-yl)amino)methyl)quinolin-8-ol | 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol | Chelator, M30 | 8-Quinolinol, 5-[(methyl-2-propynylamino)methyl]- | BDBM36551 | DTXSID70426091 | SB17079 | 5-[N-methyl-N-propargylaminom
Storage
Room temperature
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Size
Status
Price
Qty
1mg
M668989-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
M668989-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
VAR-10300 | 5-((Methyl(prop-2-yn-1-yl)amino)methyl)quinolin-8-ol | 5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol | Chelator, M30 | 8-Quinolinol, 5-[(methyl-2-propynylamino)methyl]- | BDBM36551 | DTXSID70426091 | SB17079 | 5-[N-methyl-N-propargylaminom
Storage
Room temperature
Product Properties
ALogP2
Names and Identifiers
Canonical SmilesCN(CC#C)CC1=C2C=CC=NC2=C(C=C1)O
IUPAC Name5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
InChIKeyFQFLPZZATVCNLA-UHFFFAOYSA-N
INCHI1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3
Isomeric SMILES CN(CC#C)CC1=C2C=CC=NC2=C(C=C1)O
Molecular Weight 226.27
Reaxy-Rn 10077047
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10077047&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Subclass8-hydroxyquinolines
Intermediate Tree Nodes Not available
Direct Parent8-hydroxyquinolines
Alternative Parents Aralkylamines  1-hydroxy-2-unsubstituted benzenoids  Pyridines and derivatives  Heteroaromatic compounds  Trialkylamines  Azacyclic compounds  Acetylides  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 8-hydroxyquinoline - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Acetylide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Amine oxidase [flavin-containing] A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight226.270 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass226.111 Da
Monoisotopic Mass226.111 Da
Topological Polar Surface Area36.400 Ų
Heavy Atom Count17
Formal Charge0
Complexity296.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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