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

CAS: 57943-60-9 Cat. No.: B301321 Fórmula: C₈H₁₀ClNO₂ Peso molecular: 187.62 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 508809737
• Sonrisas canónicas: 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
• Isómeros SMILES: COC(=N)C1=CC=C(C=C1)O.Cl
• Peso molecular: 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
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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