1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)- , CAS No.89781-63-5

CAS: 89781-63-5 Cat. No.: H668790 Peso molecular: 196.25
Disponible para pedir
Synonyms
1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole | 1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)- | BRN 4745179 | Dihydronaphthalene 13 | 1-(3,4-dihydronaphthalen-2-yl)imidazole | 1-(3,4-Dihydro-2-naphthalenyl)-1H-imidazole | BDBM8898 | DTXSID50237889 | AKOS006
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
H668790-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
H668790-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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

Sinónimos
1-(3, 4-dihydronaphthalen-2-yl)-1H-imidazole | 1H-Imidazole, 1-(3, 4-dihydro-2-naphthalenyl)- | BRN 4745179 | Dihydronaphthalene 13 | 1-(3, 4-dihydronaphthalen-2-yl)imidazole | 1-(3, 4-Dihydro-2-naphthalenyl)-1H-imidazole | BDBM8898 | DTXSID50237889 | AKOS006
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.5
Nombres e identificadores
Sonrisas canónicasC1CC(=CC2=CC=CC=C21)N3C=CN=C3
IUPAC Name1-(3,4-dihydronaphthalen-2-yl)imidazole
InChIKeyDHUCLDOIXQGVDQ-UHFFFAOYSA-N
INCHI1S/C13H12N2/c1-2-4-12-9-13(6-5-11(12)3-1)15-8-7-14-10-15/h1-4,7-10H,5-6H2
Isómeros SMILES C1CC(=CC2=CC=CC=C21)N3C=CN=C3
Peso molecular 196.25
Reaxy-Rn 4745179
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4745179&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents N-substituted imidazoles  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Naphthalene - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP11B2 Tchem Cytochrome P450 11B2, mitochondrial (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP11B1 Tclin Cytochrome P450 11B1, mitochondrial (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP11B1 Tclin Cytochrome P450 11B1 (1750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP17A1 Tclin Cytochrome P450 17A1 (3627 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Cyp11b2 Cytochrome P450 11B2 (46 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular196.250 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass196.1 Da
Monoisotopic Mass196.1 Da
Topological Polar Surface Area17.800 Ų
Heavy Atom Count15
Formal Charge0
Complexity259.000
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
Calculadoras de soluciones
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