Dibenzosuberone - ≥98%(GC) , CAS No.1210-35-1

CAS: 1210-35-1 Cat. No.: D154573 분자식: C₁₅H₁₂O 분자량: 208.26 EC 번호: 214-912-3

GRADE & PURITY ≥98%(GC)

Synonyms

GS-3306 | 10,11-Dihydrodibenzo(a,d)cycloheptanone | NSC 49727 | 10,11-dihydro-5H-dibenzo[a,d]-cyclohepten-5-one | 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one | Dibenzo(a,d)cycloheptadien-5-one | SY015231 | Amitriptyline Impurity A | Dibenzo[a,4]dien-5-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

GS-3306 | 10,11-Dihydrodibenzo(a,d)cycloheptanone | NSC 49727 | 10,11-dihydro-5H-dibenzo[a,d]-cyclohepten-5-one | 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one | Dibenzo(a,d)cycloheptadien-5-one | SY015231 | Amitriptyline Impurity A | Dibenzo[a,4]dien-5-

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504752576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752576
• 정식 스마일: C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
• IUPAC Name: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
• InChIKey: BMVWCPGVLSILMU-UHFFFAOYSA-N
• INCHI: 1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
• 이성체 SMILES: C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
• RTECS: HP1149700
• 분자량: 208.26
• Reaxy-Rn: 1454355
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1454355&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 설명: 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

관련 대상(인간)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (0.03g/L at 20°C).
• 굴절률: 1.63
• 끓는점(°C): 148°C/0.3mmHg
• 녹는점(°C): 32-34 °C
• 분자량: 208.250 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 208.089 Da
• Monoisotopic Mass: 208.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 245.000
• 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