N-Phenyldiethanolamine - ≥96% , CAS No.120-07-0

CAS: 120-07-0 Cat. No.: P140806 Peso molecular: 181.23 Beilstein Registry Number: 2096832 Número EC: 204-368-5

GRADE & PURITY ≥96%

Synonyms

N,N-Di(.beta.-hydroxyethyl)aniline | AI3-01739 | N,N-Bis(2-hydroxyethyl)aniline | n,n-bis(2-hydroxyethyl)-aniline | N,N-Diethanolaniline | Z336079346 | DTXCID501962 | EINECS 204-368-5 | PHENYLDIETHANOLAMINE | CHEBI:194838 | Ethanol,2'-(phenylimino)di- | D

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

N, N-Di(.beta.-hydroxyethyl)aniline | AI3-01739 | N, N-Bis(2-hydroxyethyl)aniline | n, n-bis(2-hydroxyethyl)-aniline | N, N-Diethanolaniline | Z336079346 | DTXCID501962 | EINECS 204-368-5 | PHENYLDIETHANOLAMINE | CHEBI:194838 | Ethanol, 2'-(phenylimino)di- | D

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504751671
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751671
• Sonrisas canónicas: C1=CC=C(C=C1)N(CCO)CCO
• IUPAC Name: 2-[N-(2-hydroxyethyl)anilino]ethanol
• InChIKey: OJPDDQSCZGTACX-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
• Isómeros SMILES: C1=CC=C(C=C1)N(CCO)CCO
• WGK Alemania: 2
• RTECS: KM2100000
• Peso molecular: 181.23
• Beilstein: 2096832
• Reaxy-Rn: 2096832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096832&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

• Solubilidad: Soluble in water 3g/L @ 20℃
• Sensibilidad: light & Moisture & air sensitive
• Punto de inflamación (°F): 392 °F
• Punto de inflamación (°C): 200℃
• Punto de ebullición (°C): 270°C
• Punto de fusión (°C): 55-59°C
• Peso molecular: 181.230 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.11 Da
• Monoisotopic Mass: 181.11 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 118.000
• 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. Shuaijun Fang, Gaofeng Feng, Yuqiu Guo, Weiguo Chen, Hongfei Qian.  (2020)  Synthesis and application of urethane-containing azo disperse dyes on polyamide fabrics.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2020.108225]

2. Fugen Yuan, Zhanghai Gu, Li Li, Lin Sha.  (2017)  Novel cerium(IV)-diolate complex with a 13-nuclear cerium(IV)-oxo core: Synthesis, molecular structure and catalytic property for ε-caprolactone-polymerization.  POLYHEDRON,      [PMID:] [10.1016/j.poly.2017.06.001]

3. Sun Wei, Zheng Yan, Zhang Xingyuan.  (2016)  Photoisomerization of waterborne polyurethane with side-chained phenylazonaphthalene group.  POLYMER BULLETIN,  74  (8): (3109-3121).  [PMID:] [10.1007/s00289-016-1895-9]

4. Zhanghai Gu, Li Li, Qianwen Bao, Fugen Yuan.  (2015)  Lanthanocene Diolate Complexes: Synthesis, Structures and Catalytic Property for ε-Caprolactone Polymerization.  CHINESE JOURNAL OF CHEMISTRY,  33  (5): (563-567).  [PMID:] [10.1002/cjoc.201400826]

5. Dan Li, Yutao Shen, Na Li, Xiaolong Li, Mao Li, Zijia Huang, Yong Zhao.  (2025)  A fluorescent optical fiber sensor for real-time, portable detection of alkaline phosphatase activity.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.137568]

6. Wentao Wang, Xiaolong Guo, Weiwei Geng, Kanghui Wang, Wenzheng Zhang, Lu Liu, Yuang Zhang, Bingtao Tang, Liming Ding.  (2024)  Continuous fibers featuring high phase change enthalpy fabricated by melt spinning for thermal management.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.113690]

7. Yu Wang, Lingqi Shen, Yuan Yan, Bincheng Gong, Kexian Chen, Guohua Zhu, Zuguang Li.  (2024)  Ultrasound assisted upper critical solution temperature type switchable deep eutectic solvent based liquid-liquid microextraction for the determination of triazole in water.  ANALYTICA CHIMICA ACTA,      [PMID:39266195] [10.1016/j.aca.2024.343172]

8. Dan Li, Mao Li, Zijia Huang, Xiaolong Li, Xiaoming Chen, Na Li, Yong Zhao.  (2025)  Ultrasensitive, online detection of endogenous H2S by a novel ratiometric fluorescent approach.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.137874]

9. Caishuo Hu, Zhaoying Jia, Linhai Zhu, Yuang Zhang, Shufen Zhang, Bingtao Tang.  (2025)  Colorful phase change material with intrinsic flexibility for personal thermal management.  AICHE JOURNAL,      [PMID:] [10.1002/aic.18856]