(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine , CAS No.B668353

CAS: B668353 Cat. No.: B668353 Molecular Weight: 304.4 PubChem CID: 656767
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Synonyms
CP-339818 | CP 339818 | Tocris-1399 | (1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine | C13847 | N-(1-Benzylquinolin-4(1H)-ylidene)pentan-1-amine | AC1LCVJB | 1-benzyl-N-pentylquinolin-4-imine | SureCN12648579 | GTPL2558 | CHEBI:34602 | 1-benzyl-N-pentyl-qu
Storage
Room temperature
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Size
Status
Price
Qty
1mg
B668353-1mg
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$571.90

$999.90
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5mg
B668353-5mg
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$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
CP-339818 | CP 339818 | Tocris-1399 | (1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine | C13847 | N-(1-Benzylquinolin-4(1H)-ylidene)pentan-1-amine | AC1LCVJB | 1-benzyl-N-pentylquinolin-4-imine | SureCN12648579 | GTPL2558 | CHEBI:34602 | 1-benzyl-N-pentyl-qu
Storage
Room temperature
Product Properties
ALogP5.1
Names and Identifiers
Canonical SmilesCCCCCN=C1C=CN(C2=CC=CC=C12)CC3=CC=CC=C3
IUPAC Name1-benzyl-N-pentylquinolin-4-imine
InChIKeyMMGAVKCAGQCFHS-UHFFFAOYSA-N
INCHI1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3
Isomeric SMILES CCCCCN=C1C=CN(C2=CC=CC=C12)CC3=CC=CC=C3
PubChem CID 656767
Molecular Weight 304.4

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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
Subclass1-benzylquinolines
Intermediate Tree Nodes Not available
Direct Parent1-benzylquinolines
Alternative Parents Hydroquinolines  Pyridines and derivatives  Benzene and substituted derivatives  Secondary ketimines  Heteroaromatic compounds  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzylquinoline - Dihydroquinoline - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzylquinolines. These are organic aromatic compounds containing a quinoline that is substituted at the 1-position by a benzyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
KCNA4 Tclin Potassium voltage-gated channel subfamily A member 4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNA3 Tclin Voltage-gated potassium channel subunit Kv1.3 (1067 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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 Weight304.400 g/mol
XLogP35.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass304.194 Da
Monoisotopic Mass304.194 Da
Topological Polar Surface Area15.600 Ų
Heavy Atom Count23
Formal Charge0
Complexity406.000
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
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