4-(Dibenzylamino)cyclohexanone - ≥98% , CAS No.149506-79-6

CAS: 149506-79-6 Cat. No.: D181622 Formula: C₂₀H₂₃NO Peso molecolare: 293.4 Numero EC: 963-229-3

GRADE & PURITY ≥98%

Synonyms

BCP18571 | SY083809 | 4-(Dibenzylamino)cyclohexanone | GS-4182 | ZDHRRHRWHFBMQV-UHFFFAOYSA-N | MFCD16659682 | AKOS015920418 | 4-(dibenzylamino)cyclohexan-1-one | AM85298 | 4-dibenzylaminocyclohexanone | 4-dibenzylamino-cyclohexanone | Cyclohexanone, 4-[bi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

BCP18571 | SY083809 | 4-(Dibenzylamino)cyclohexanone | GS-4182 | ZDHRRHRWHFBMQV-UHFFFAOYSA-N | MFCD16659682 | AKOS015920418 | 4-(dibenzylamino)cyclohexan-1-one | AM85298 | 4-dibenzylaminocyclohexanone | 4-dibenzylamino-cyclohexanone | Cyclohexanone, 4-[bi

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504769120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769120
• Sorrisi canonici: C1CC(=O)CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3
• IUPAC Name: 4-(dibenzylamino)cyclohexan-1-one
• InChIKey: ZDHRRHRWHFBMQV-UHFFFAOYSA-N
• INCHI: 1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2
• Isomeri SMILES: C1CC(=O)CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3
• Peso molecolare: 293.4
• Reaxy-Rn: 9337930
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9337930&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: 293.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 293.178 Da
• Monoisotopic Mass: 293.178 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 312.000
• 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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 149506-79-6, the molecular formula is C20H23NO, and the molecular weight is 293.4 g/mol. InChIKey ZDHRRHRWHFBMQV-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.