WAY-300716 - ≥98% , CAS No.223735-93-1

CAS: 223735-93-1 Cat. No.: W416841 Formula: C₁₆H₁₄ClNO Peso molecolare: 271.74 PubChem CID: 668827

GRADE & PURITY ≥98%

Synonyms

(4-chlorophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

(4-chlorophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

3.566

Legame rotabile

1

Nomi e identificatori

Pubchem Sid

504759817

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759817

Sorrisi canonici

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl

IUPAC Name

(4-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

InChIKey

AFLIBHSYRRBBBP-UHFFFAOYSA-N

INCHI

1S/C16H14ClNO/c17-15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2

Isomeri SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl

PubChem CID

668827

Peso molecolare

271.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoquinolines and derivatives
      • Subclass Benzylisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Benzylisoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylisoquinolines
• Alternative Parents: Tetrahydroisoquinolines 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzylisoquinoline - Tetrahydroisoquinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
• 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 271.740 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 271.076 Da
• Monoisotopic Mass: 271.076 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 325.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 223735-93-1, the molecular formula is C16H14ClNO, and the molecular weight is 271.74 g/mol. InChIKey AFLIBHSYRRBBBP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.