4-(Dibenzylamino)cyclohexanone hydrochloride - ≥95% , CAS No.1416352-02-7

CAS: 1416352-02-7 Cat. No.: D190864 分子式: C₂₀H₂₄ClNO 分子量: 329.86 PubChem CID: 66570716

GRADE & PURITY ≥95%

Synonyms

AKOS015999479 | 1416352-02-7 | 4-(Dibenzylamino)cyclohexanonehydrochloride | 4-(Dibenzylamino)cyclohexanone hydrochloride | A885631 | DS-2019 | 4-(dibenzylamino)cyclohexan-1-one;hydrochloride | C20H24ClNO | MFCD22421636 | 4-(dibenzylamino)cyclohexan-1-one

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS015999479 | 1416352-02-7 | 4-(Dibenzylamino)cyclohexanonehydrochloride | 4-(Dibenzylamino)cyclohexanone hydrochloride | A885631 | DS-2019 | 4-(dibenzylamino)cyclohexan-1-one;hydrochloride | C20H24ClNO | MFCD22421636 | 4-(dibenzylamino)cyclohexan-1-one

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1CC(=O)CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl
• IUPAC Name: 4-(dibenzylamino)cyclohexan-1-one;hydrochloride
• InChIKey: TUTOCKYAXGAJTC-UHFFFAOYSA-N
• INCHI: 1S/C20H23NO.ClH/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;1H
• 異性体SMILES: C1CC(=O)CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl
• PubChem CID: 66570716
• 分子量: 329.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Cyclic ketones Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 329.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 329.155 Da
• Monoisotopic Mass: 329.155 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 23
• 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: 2

XLogP3

参考文献

1. Hongyun Zhang, Ying Xia, Mingpeng Zhou, Jianyong Zheng, Zhao Wang, Yinjun Zhang.  (2019)  Purification and characterization of a thermoalkaliphilic esterase from Bacillus cereus WZZ006 for enantioselective resolution of indoxacarb intermediate.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:31430490] [10.1016/j.ijbiomac.2019.08.140]

よくある質問

What is the purity of this product?

This product is supplied at ≥95% 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 1416352-02-7, the molecular formula is C20H24ClNO, and the molecular weight is 329.86 g/mol. InChIKey TUTOCKYAXGAJTC-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.