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

CAS: 18637-00-8 Cat. No.: E587830 분자식: C₉H₁₃ClN₂O 분자량: 200.66 EC 번호: 606-080-9

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥96%

보관 조건

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

배송

Wet ice

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순수함

≥96%

이름과 식별자

Pubchem Sid

508808025

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

대체 CAS

53623-81-7（free）

분자량

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
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture sensitive；Light sensitive
• 분자량: 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