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

CAS: 55302-96-0 Cat. No.: H121698 Molecular Weight: 167.21 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187818
• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C=C(C=C1)NCCO)O
• RTECS: SL5078600
• Molecular Weight: 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
    • Class Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 93°C
• Molecular Weight: 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