Cyheptamide - ≥98% , CAS No.7199-29-3

CAS: 7199-29-3 Cat. No.: C136760 分子式: C₁₆H₁₅NO 分子量: 237.3 EC番号: 230-570-8

GRADE & PURITY ≥98%

Synonyms

SR-01000944808 | Cyheptamidum | Cyheptamidum [INN-Latin] | 10,11-Dihydro-5H-dibenzocycloheptene-5-carboxamide | Tox21_112337 | 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide | 10,11-dihydro-5H-dibenz[a,d]cycloheptene-5-carboxamide | 5H-Dibenzo[a,

Storage

Room temperature

Shipped In

Normal

概要

Used to study pharmacological activity involved in identification of compounds with central nervous system activity

Specifications

同義語

SR-01000944808 | Cyheptamidum | Cyheptamidum [INN-Latin] | 10,11-Dihydro-5H-dibenzocycloheptene-5-carboxamide | Tox21_112337 | 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide | 10,11-dihydro-5H-dibenz[a,d]cycloheptene-5-carboxamide | 5H-Dibenzo[a,

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)N
• IUPAC Name: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
• InChIKey: APBVLLORZMAWKI-UHFFFAOYSA-N
• INCHI: 1S/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18)
• 異性体SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)N
• WGKドイツ: 2
• RTECS: HO7878000
• 分子量: 237.3
• Reaxy-Rn: 2273660
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2273660&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
• 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 237.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 237.115 Da
• Monoisotopic Mass: 237.115 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 290.000
• 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

よくある質問

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 7199-29-3, the molecular formula is C16H15NO, and the molecular weight is 237.3 g/mol. InChIKey APBVLLORZMAWKI-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.