1-Methylisoquinoline - ≥97% , CAS No.1721-93-3

CAS: 1721-93-3 Cat. No.: M157781 Summenformel: C₁₀H₉N Molekulargewicht: 143.19 Beilstein Registry Number: 20(3/4)3505 EG-Nummer: 217-017-6

GRADE & PURITY ≥97%

Synonyms

FT-0633794 | EINECS 217-017-6 | BRD-K02603382-001-01-0 | Methylisoquinoline; 97% | UNII-Z96HOX9RT9 | 1-Methylisoquinoline; Isoquinaldine; NSC 101175 | CHEBI:125469 | Isoquinaldine | AMY13709 | MFCD00006902 | Z96HOX9RT9 | Isoquinoline, methyl- | Y10177 | A

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyme

FT-0633794 | EINECS 217-017-6 | BRD-K02603382-001-01-0 | Methylisoquinoline; 97% | UNII-Z96HOX9RT9 | 1-Methylisoquinoline; Isoquinaldine; NSC 101175 | CHEBI:125469 | Isoquinaldine | AMY13709 | MFCD00006902 | Z96HOX9RT9 | Isoquinoline, methyl- | Y10177 | A

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488182145

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182145

Kanonisches Lächeln

CC1=NC=CC2=CC=CC=C12

IUPAC Name

1-methylisoquinoline

InChIKey

PBYMYAJONQZORL-UHFFFAOYSA-N

INCHI

1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3

Isomere SMILES

CC1=NC=CC2=CC=CC=C12

WGK Deutschland

3

Molekulargewicht

143.19

Beilstein

20(3/4)3505

Reaxy-Rn

111339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• External Descriptors: Not available

Data sources

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

Zugehörige Ziele (menschlich)

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.61
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 102°C(lit.)
• Siedepunkt (°C): 255°C(lit.)
• Schmelzpunkt (°C): 10-12°C
• Molekulargewicht: 143.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073 Da
• Monoisotopic Mass: 143.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1721-93-3, the molecular formula is C10H9N, and the molecular weight is 143.19 g/mol. InChIKey PBYMYAJONQZORL-UHFFFAOYSA-N.