2,2′-(4-Methylphenylimino)diethanol - technical grade, ≥90% , CAS No.3077-12-1

CAS: 3077-12-1 Cat. No.: M138836 Peso molecular: 195.26 Beilstein Registry Number: 12(3)2034 Número EC: 221-359-1

GRADE & PURITY Technical grade, ≥90%

Synonyms

dihydroxyethyl toluidine | DTXSID0044650 | CCRIS 814 | N-(4-Methylphenyl)-N,N-diethanolamine | N,N-Bis(2-hydroxyethyl)-4-toluidine | NSC38250 | 2,2'-(4-Methylphenylimino)diethanol, >=97.0% (NT) | T0797 | CAS-3077-12-1 | N-(p-Tolyl)diethanolamine | UNII-R0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

dihydroxyethyl toluidine | DTXSID0044650 | CCRIS 814 | N-(4-Methylphenyl)-N, N-diethanolamine | N, N-Bis(2-hydroxyethyl)-4-toluidine | NSC38250 | 2, 2'-(4-Methylphenylimino)diethanol, >=97.0% (NT) | T0797 | CAS-3077-12-1 | N-(p-Tolyl)diethanolamine | UNII-R0

Especificaciones y pureza

technical grade, ≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Technical grade

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504755071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755071
• Sonrisas canónicas: CC1=CC=C(C=C1)N(CCO)CCO
• IUPAC Name: 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol
• InChIKey: JUVSRZCUMWZBFK-UHFFFAOYSA-N
• INCHI: 1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)N(CCO)CCO
• RTECS: KL8062000
• Peso molecular: 195.26
• Beilstein: 12(3)2034
• Reaxy-Rn: 2099156
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2099156&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Amine - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

• Punto de ebullición (°C): 163°C/1mmHg
• Punto de fusión (°C): 49-53 °C (lit.)
• Peso molecular: 195.260 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 195.126 Da
• Monoisotopic Mass: 195.126 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 138.000
• 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

Referencias

1. Yuan Wang, Zhongyuan Wu, Ting Wang, Jing Tian, Zixuan Zhou, Di Guo, Bruna S.H. Tonin, Zhou Ye, Haiping Xu, Jing Fu.  (2023)  Antibacterial and physical properties of resin cements containing MgO nanoparticles.  Journal of the Mechanical Behavior of Biomedical Materials,      [PMID:37068430] [10.1016/j.jmbbm.2023.105815]

2. Shaoshuai Bai, Yang Yang, Li Wang, Ziteng Yang, Hongsheng Lu.  (2025)  On-Demand In Situ Proppant Generation via Temperature-Induced Solidification of Fracturing Fluid.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c03553]

3. Pan Du, Yan Wang, Xianru He.  (2026)  In Situ Formation of Breathable Elastic Nanophase Enabling Wet Adhesion Strength over Triple of Dry Adhesion.  LANGMUIR,      [PMID:41503637] [10.1021/acs.langmuir.5c05858]