2,2,2-Trichloroethanol - Moligand™, ≥98% , Allosteric modulator of 5-HT 3A;Allosteric modulator of 5-HT 3AB, CAS No.115-20-8, Allosteric modulator of 5-HT 3A;Allosteric modulator of 5-HT 3AB

CAS: 115-20-8 Cat. No.: T109518 분자식: C₂H₃Cl₃O 분자량: 149.4 Beilstein Registry Number: 1697495 EC 번호: 204-071-0 PubChem CID: 8259

GRADE & PURITY Moligand™, ≥98%

Synonyms

2,2,2-trichloroethanoI | D70779 | 2,2,2-Trichloroethanol purum | SCHEMBL1027 | .beta.,.beta.,.beta-Trichloroethanol | 2,2,2-Trichloroethanol, purum, >=98.0% (GC) | 2,2-Trichloroethyl alcohol | Trichloroethanol | CHEBI:28094 | FT-0609028 | 2,2-Trichloro-1-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

2,2,2-trichloroethanoI | D70779 | 2,2,2-Trichloroethanol purum | SCHEMBL1027 | .beta.,.beta.,.beta-Trichloroethanol | 2,2,2-Trichloroethanol, purum, >=98.0% (GC) | 2,2-Trichloroethyl alcohol | Trichloroethanol | CHEBI:28094 | FT-0609028 | 2,2-Trichloro-1-

사양 및 순도

Moligand™, ≥98%

보관 조건

Room temperature,Argon charged

배송

Normal

등급

Moligand™

작업 유형

ALLOSTERIC MODULATOR

작동 메커니즘

Allosteric modulator of 5-HT 3A;Allosteric modulator of 5-HT 3AB

순수함

≥98%

이름과 식별자

Pubchem Sid

488180740

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180740

정식 스마일

C(C(Cl)(Cl)Cl)O

IUPAC Name

2,2,2-trichloroethanol

InChIKey

KPWDGTGXUYRARH-UHFFFAOYSA-N

INCHI

1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

이성체 SMILES

C(C(Cl)(Cl)Cl)O

WGK 독일

1

RTECS

KM3850000

PubChem CID

8259

UN 번호

1760

포장 그룹

III

분자량

149.4

Beilstein

1697495

Reaxy-Rn

1697495

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Halohydrins
• Subclass: Chlorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorohydrins
• Alternative Parents: Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chlorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• External Descriptors: a small molecule

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)

HTR3B Tchem 5-hydroxytryptamine receptor 3B (0 Activities)

Discover Target: HTR3B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)

Discover Target: HTR3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water.
• 감도: Hygroscopic
• 굴절률: 1.4885-1.4905
• 발화점(°F): 230.0 °F
• 발화점(°C): 88℃
• 끓는점(°C): 151°C
• 녹는점(°C): 17.8°C
• 분자량: 149.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.925 Da
• Monoisotopic Mass: 147.925 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 38.500
• 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