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

CAS: 18637-00-8 Cat. No.: E587830 Molecular Weight: 200.66 EC Number: 606-080-9

GRADE & PURITY ≥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

Specifications

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

Specifications & Purity

≥96%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCOC1=CC=CC=C1C(=N)N.Cl
• Alternate CAS: 53623-81-7（free）
• Molecular Weight: 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
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive；Light sensitive
• Molecular Weight: 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

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