2-Ethoxybenzimidamide hydrochloride - ≥96% , CAS No.18637-00-8

CAS: 18637-00-8 Cat. No.: E587830 分子式: C₉H₁₃ClN₂O 分子量: 200.66 EC番号: 606-080-9

グレード＆純度 ≥96%

Synonyms

AC-4503 | AMY40552 | 2-Ethoxybenzimidamidehydrochloride | A813028 | Benzenecarboximidamide, 2-ethoxy-, monohydrochloride | J-509303 | SY020187 | DTXSID00486481 | 2-ETHOXY BENZAMIDINE HCL | EC 606-080-9 | C93436 | 2-Ethoxybenzimidamide hydrochloride | AS-1

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

仕様

同義語

AC-4503 | AMY40552 | 2-Ethoxybenzimidamidehydrochloride | A813028 | Benzenecarboximidamide, 2-ethoxy-, monohydrochloride | J-509303 | SY020187 | DTXSID00486481 | 2-ETHOXY BENZAMIDINE HCL | EC 606-080-9 | C93436 | 2-Ethoxybenzimidamide hydrochloride | AS-1

仕様と純度

≥96%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

508808025

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508808025

カノニカル・スマイル

CCOC1=CC=CC=C1C(=N)N.Cl

IUPAC Name

2-ethoxybenzenecarboximidamide;hydrochloride

InChIKey

NGMHLSBQVIXGNZ-UHFFFAOYSA-N

INCHI

1S/C9H12N2O.ClH/c1-2-12-8-6-4-3-5-7(8)9(10)11;/h3-6H,2H2,1H3,(H3,10,11);1H

異性体SMILES

CCOC1=CC=CC=C1C(=N)N.Cl

代替CAS番号

53623-81-7（free）

分子量

200.66

Reaxy-Rn

3704692

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3704692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Quaternary ammonium salts Carboximidamides Carboxamidines Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Quaternary ammonium salt - Amidine - Carboxylic acid amidine - Ether - Carboximidamide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic chloride salt - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

化学的性質と物理的性質

• 感度: Moisture sensitive；Light sensitive
• 分子量: 200.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.072 Da
• Monoisotopic Mass: 200.072 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• 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