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

CAS: 57943-60-9 Cat. No.: B301321 Summenformel: C₈H₁₀ClNO₂ Molekulargewicht: 187.62 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 508809737
• Kanonisches Lächeln: 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
• Isomere SMILES: COC(=N)C1=CC=C(C=C1)O.Cl
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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