3,4-Dihydro-2H-isoquinolin-1-one - ≥97% , CAS No.1196-38-9

CAS: 1196-38-9 Cat. No.: T172481 Peso molecular: 147.17 Número EC: 818-113-6 PubChem CID: 150896
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
AKOS002232785 | J-511194 | AB07451 | Oprea1_511002 | SY021304 | Q27461749 | AM20020275 | dihydroisoquinolone | BCP27476 | DTXCID605716 | (6-(1-Methyl-propyl)-2,4-dinitro-phenyl)-3,3-dimethyl-acrylat | DTXSID40152517 | 7R-1504 | 1-Keto-1,2,3,4-tetrahydrois
Storage
Room temperature,Argon charged
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
T172481-1g
5

11,90US$

17,90US$
Guardar 6,00 US$ (33.52%)
5g
T172481-5g
2

40,90US$

61,90US$
Guardar 21,00 US$ (33.93%)
10g
T172481-10g
1

76,90US$

115,90US$
Guardar 39,00 US$ (33.65%)
25g
T172481-25g
1

177,90US$

266,90US$
Guardar 89,00 US$ (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
AKOS002232785 | J-511194 | AB07451 | Oprea1_511002 | SY021304 | Q27461749 | AM20020275 | dihydroisoquinolone | BCP27476 | DTXCID605716 | (6-(1-Methyl-propyl)-2, 4-dinitro-phenyl)-3, 3-dimethyl-acrylat | DTXSID40152517 | 7R-1504 | 1-Keto-1, 2, 3, 4-tetrahydrois
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature, Argon charged
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid488188225
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488188225
Sonrisas canónicasC1CNC(=O)C2=CC=CC=C21
IUPAC Name3,4-dihydro-2H-isoquinolin-1-one
InChIKeyYWPMKTWUFVOFPL-UHFFFAOYSA-N
INCHI1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
Isómeros SMILES C1CNC(=O)C2=CC=CC=C21
PubChem CID 150896
Peso molecular 147.17

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIsoquinolines and derivatives
SubclassIsoquinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentIsoquinolones and derivatives
Alternative Parents Tetrahydroisoquinolines  Benzenoids  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoquinolone - Tetrahydroisoquinoline - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NNMT Tchem Nicotinamide N-methyltransferase (469 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PARP11 Tbio Poly [ADP-ribose] polymerase 11 (83 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 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:

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

11 results found

Lot NumberCertificate TypeFechaArticulo
F2625084Certificate of AnalysisJun 30, 2026 T172481
F2310579Certificate of AnalysisMar 16, 2026 T172481
F2310581Certificate of AnalysisMar 16, 2026 T172481
F2310582Certificate of AnalysisMar 16, 2026 T172481
F2310584Certificate of AnalysisMar 16, 2026 T172481
F2310585Certificate of AnalysisMar 16, 2026 T172481
F2310586Certificate of AnalysisMar 16, 2026 T172481
F2310587Certificate of AnalysisMar 16, 2026 T172481
L2209374Certificate of AnalysisSep 09, 2025 T172481
G2109065Certificate of AnalysisApr 07, 2024 T172481
L1903149Certificate of AnalysisSep 21, 2022 T172481

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Propiedades químicas y físicas
Sensibilidadair sensitive
Punto de fusión (°C)67 °C
Peso molecular147.170 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass147.068 Da
Monoisotopic Mass147.068 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity167.000
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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