Methyl 4-Hydroxybenzimidate Hydrochloride - ≥95% , CAS No.57943-60-9

CAS: 57943-60-9 Cat. No.: B301321 分子式: C₈H₁₀ClNO₂ 分子量: 187.62 EC番号: 621-373-1

GRADE & PURITY ≥95%

Synonyms

Methyl 4-hydroxybenzimidate hydrochloride | METHYL 4-HYDROXYBENZIMIDATE HYDRO-CHLORIDE | AB01949 | FT-0690444 | SCHEMBL561736 | 4-[Amino(methoxy)methylidene]cyclohexa-2,5-dien-1-one--hydrogen chloride (1/1) | methyl 4-hydroxybenzenecarboximidate;hydrochlo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

Methyl 4-hydroxybenzimidate hydrochloride | METHYL 4-HYDROXYBENZIMIDATE HYDRO-CHLORIDE | AB01949 | FT-0690444 | SCHEMBL561736 | 4-[Amino(methoxy)methylidene]cyclohexa-2,5-dien-1-one--hydrogen chloride (1/1) | methyl 4-hydroxybenzenecarboximidate;hydrochlo

仕様と純度

≥95%

保管条件

Store at 2-8°C

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

≥95%

名前と識別子

パブケム・シド

508809737

カノニカル・スマイル

COC(=N)C1=CC=C(C=C1)O.Cl

IUPAC Name

methyl 4-hydroxybenzenecarboximidate;hydrochloride

InChIKey

LUGNZZHPWPZWQF-UHFFFAOYSA-N

INCHI

1S/C8H9NO2.ClH/c1-11-8(9)6-2-4-7(10)5-3-6;/h2-5,9-10H,1H3;1H

異性体SMILES

COC(=N)C1=CC=C(C=C1)O.Cl

分子量

187.62

Reaxy-Rn

5622546

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5622546&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Carboximidic acids and derivatives Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

• 分子量: 187.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.04 Da
• Monoisotopic Mass: 187.04 Da
• Topological Polar Surface Area: 53.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• 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