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Bevantolol Hydrochloride - ≥98% , CAS No.42864-78-8

Bevantolol Hydrochloride - ≥98% , CAS No.42864-78-8

Name: Bevantolol Hydrochloride - ≥98% , CAS No.42864-78-8
SKU: D193380
Availability: InStock

CAS: 42864-78-8 Cat. No.: D193380 分子式: C₂₀H₂₈ClNO₄ 分子量: 381.89 EC番号: 834-176-2

COA

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Bevantolol Hydrochloride - ≥98% CAS No(42864-78-8) by Aladdin Scientific

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注文可能

GRADE & PURITY ≥98%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

アクションタイプ

ANTAGONIST

純度

≥98%

名前と識別子

パブケム・シド	488183313
パブケム・シド・ウル	https://pubchem.ncbi.nlm.nih.gov/substance/488183313
カノニカル・スマイル	CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl
IUPAC Name	1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
InChIKey	FJTKCFSPYUMXJB-UHFFFAOYSA-N
INCHI	1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H
異性体SMILES	CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl
代替CAS番号	59170-23-9
分子量	381.89
Reaxy-Rn	5195067
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5195067&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenethylamines Phenoxy compounds Anisoles Toluenes Aralkylamines Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Toluene - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Ether - Secondary aliphatic amine - Secondary amine - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors	hydrochloride
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

3 D構造

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レビュー

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Lot Number	Certificate Type	日付	商品
F2121125	Certificate of Analysis	Apr 03, 2025	D193380
F2121126	Certificate of Analysis	Apr 03, 2025	D193380
F2121127	Certificate of Analysis	Apr 03, 2025	D193380
D2307492	Certificate of Analysis	May 10, 2021	D193380

溶解度	Solubility in water: Practically insoluble; Very soluble in Methanol; Soluble in Chloroform; Insoluble in Ether
融点（°C）	142℃
分子量	381.900 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	381.171 Da
Monoisotopic Mass	381.171 Da
Topological Polar Surface Area	60.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	355.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2