5-(2-Hydroxyethyl)amino-o-cresol - ≥98% , CAS No.55302-96-0

CAS: 55302-96-0 Cat. No.: H121698 Peso molecular: 167.21 Número EC: 259-583-7

GRADE & PURITY ≥98%

Synonyms

JAROCOL 2M5HEAP | 5-hydroxyethylamino-2-methylphenol | MFCD01707346 | O11286 | 2-methoxy-4-amino-5-chloro-benzoic acid 2-(diethylamino) ethyl ester | 6-Methyl-3-beta-hydroxyethylaminophenol | IMEXINE OAG | DTXSID70203849 | EINECS 259-583-7 | HSDB 3182 | U

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

JAROCOL 2M5HEAP | 5-hydroxyethylamino-2-methylphenol | MFCD01707346 | O11286 | 2-methoxy-4-amino-5-chloro-benzoic acid 2-(diethylamino) ethyl ester | 6-Methyl-3-beta-hydroxyethylaminophenol | IMEXINE OAG | DTXSID70203849 | EINECS 259-583-7 | HSDB 3182 | U

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187818
• Sonrisas canónicas: CC1=C(C=C(C=C1)NCCO)O
• IUPAC Name: 5-(2-hydroxyethylamino)-2-methylphenol
• InChIKey: YGRFRBUGAPOJDU-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3
• Isómeros SMILES: CC1=C(C=C(C=C1)NCCO)O
• RTECS: SL5078600
• Peso molecular: 167.21
• Reaxy-Rn: 6313564
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6313564&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: m-Aminophenols Phenylalkylamines Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-aminophenol - Aminophenol - O-cresol - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,2-aminoalcohol - Alkanolamine - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Primary alcohol - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 93°C
• Peso molecular: 167.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.095 Da
• Monoisotopic Mass: 167.095 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• 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: 1