2-Chloro-4'-morpholinomethyl benzophenone , CAS No.898770-29-1

CAS: 898770-29-1 Cat. No.: C947403 Formula: C₁₈H₁₈ClNO₂ Peso molecolare: 315.8 PubChem CID: 24724245

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

C1COCCN1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3Cl

IUPAC Name

(2-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone

InChIKey

JKPBLYDSZACPQS-UHFFFAOYSA-N

INCHI

1S/C18H18ClNO2/c19-17-4-2-1-3-16(17)18(21)15-7-5-14(6-8-15)13-20-9-11-22-12-10-20/h1-8H,9-13H2

Isomeri SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3Cl

PubChem CID

24724245

Peso molecolare

315.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Benzoyl derivatives Benzylamines Phenylmethylamines Chlorobenzenes Aralkylamines Morpholines Aryl chlorides Vinylogous halides Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenylmethylamine - Aryl ketone - Benzylamine - Benzoyl - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Morpholine - Oxazinane - Aryl halide - Vinylogous halide - Ketone - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Peso molecolare: 315.800 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 315.103 Da
• Monoisotopic Mass: 315.103 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 362.000
• 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

How should this product be stored?

Store at room temperature.

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

The CAS Number is 898770-29-1, the molecular formula is C18H18ClNO2, and the molecular weight is 315.8 g/mol. InChIKey JKPBLYDSZACPQS-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.