2,5-Dimethyl-4-(4-morpholinylmethyl)phenol hydrochloride hydrate - ≥95% , CAS No.33625-43-3

CAS: 33625-43-3 Cat. No.: D300773 Peso molecular: 257.76(anhy) Número EC: 251-600-6

GRADE & PURITY ≥95%

Synonyms

2,5-dimethyl-4-(morpholin-4-ylmethyl)phenol;hydrochloride | BS-22813 | 2,5-Dimethyl-4-(4-morpholinylmethyl)phenol hydrochloride | 2,5-dimethyl-4-(morpholinomethyl)phenol HCl | Phenol, 2,5-dimethyl-4-(4-morpholinylmethyl)-, hydrochloride (1:1) | SR-0100059

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 5-dimethyl-4-(morpholin-4-ylmethyl)phenol;hydrochloride | BS-22813 | 2, 5-Dimethyl-4-(4-morpholinylmethyl)phenol hydrochloride | 2, 5-dimethyl-4-(morpholinomethyl)phenol HCl | Phenol, 2, 5-dimethyl-4-(4-morpholinylmethyl)-, hydrochloride (1:1) | SR-0100059

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1O)C)CN2CCOCC2.Cl
• IUPAC Name: 2,5-dimethyl-4-(morpholin-4-ylmethyl)phenol;hydrochloride
• InChIKey: RLGUYDSHQWRANT-UHFFFAOYSA-N
• INCHI: 1S/C13H19NO2.ClH/c1-10-8-13(15)11(2)7-12(10)9-14-3-5-16-6-4-14;/h7-8,15H,3-6,9H2,1-2H3;1H
• Isómeros SMILES: CC1=CC(=C(C=C1O)C)CN2CCOCC2.Cl
• Peso molecular: 257.76(anhy)
• Reaxy-Rn: 4024300
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4024300&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Xylenes
        • Level5 Xylenols
          • Level6 p-Xylenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Xylenols
• Direct Parent: p-Xylenols
• Alternative Parents: p-Xylenes Phenylmethylamines Ortho cresols Meta cresols Benzylamines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-xylenol - Benzylamine - M-cresol - P-xylene - O-cresol - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Amine - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-xylenols. These are aromatic compounds that contain a p-xylenol moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions, and at least one hydroxyl group.
• 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: 257.750 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 257.118 Da
• Monoisotopic Mass: 257.118 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 216.000
• 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