Dibencilamina - ≥96% , CAS No.103-49-1

CAS: 103-49-1 Cat. No.: D396173 Fórmula: C₁₄H₁₅N Peso molecular: 197.28 Beilstein Registry Number: 121035 Número EC: 203-117-7

GRADE & PURITY ≥96%

Synonyms

NORADRENALINE TARTRATE IMPURITY F [EP IMPURITY] | Tox21_301089 | STK397784 | Accelerator DBA | Benzenemethanamine, N-(phenylmethyl)- | Dibenzylamine, Vetec(TM) reagent grade, 97% | 3G0YFX01C6 | HY-Y1067 | Oprea1_559431 | N-(phenylmethyl)benzenemethanamine

Storage

Temperatura ambiente, cargado con argón

Shipped In

Normal

Specifications

Sinónimos

NORADRENALINE TARTRATE IMPURITY F [EP IMPURITY] | Tox21_301089 | STK397784 | Accelerator DBA | Benzenemethanamine, N-(phenylmethyl)- | Dibenzylamine, Vetec(TM) reagent grade, 97% | 3G0YFX01C6 | HY-Y1067 | Oprea1_559431 | N-(phenylmethyl)benzenemethanamine

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente, cargado con argón

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504751423
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751423
• Sonrisas canónicas: C1=CC=C(C=C1)CNCC2=CC=CC=C2
• IUPAC Name: N-benzyl-1-phenylmethanamine
• InChIKey: BWLUMTFWVZZZND-UHFFFAOYSA-N
• INCHI: 1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
• Isómeros SMILES: C1=CC=C(C=C1)CNCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 197.28
• Beilstein: 121035
• Reaxy-Rn: 909664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=909664&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Sensibilidad: air sensitive
• Índice de refracción: 1.574
• Punto de inflamación (°F): 289.4 °F
• Punto de inflamación (°C): 143℃
• Punto de ebullición (°C): 300°C
• Punto de fusión (°C): -26°C
• Peso molecular: 197.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 197.12 Da
• Monoisotopic Mass: 197.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 137.000
• 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

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2. Guichuan Xu, Zhuhan Wang, Yefeng Chen, Li Qin, Limei Zhou.  (2023)  PCN/BiOCl Polymer-Based Heterojunction with Rich Chlorine Defects for Photocatalytic Amine Oxidation.  Polymers,  15  (20): (4145).  [PMID:37896390] [10.3390/polym15204145]

3. Tao Wang, Jie Li, Hanwen Yan, Guoliang Zhang, Shifeng Li.  (2023)  Mechanism and Kinetic Study on Synthesis of Methacrolein Catalyzed by Amine/Acid.  Catalysts,  13  (5): (799).  [PMID:] [10.3390/catal13050799]

4. Tang Zekun, Ye Fanfan, Wan Huihui, Song Yuming, Fan Weiwei, Chi Zhanyou, Du Qinqin, Cai Rui, Xu Qiang, Zhang Hua.  (2022)  Carbohydrate Analysis in Fermentation Samples by Reversed-Phase Liquid Chromatography with Mass Spectrometry Detection Using Precolumn Derivatization with Dibenzylamine.  CHROMATOGRAPHIA,  85  (5): (395-403).  [PMID:] [10.1007/s10337-022-04147-x]

5. Ming-Hui He, Mei-Lin Su, Zhao-Hui Yu, Guang-Xue Chen, Zhao-Hua Zeng, Jian-Wen Yang.  (2014)  Benzoylformamides as new photocaged bases for photo-latent anion polymerization.  CHINESE CHEMICAL LETTERS,      [PMID:] [10.1016/j.cclet.2014.10.002]

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7. Zekun Tang, Huihui Wan, Huaishuan Zhang, Yu Zhang, Min Ju, Jinfeng Zhao, Yuming Sun, Lina Zhou, Qingxin Yin, Rui Cai, Qiang Xu, Yuming Song, Hua Zhang.  (2024)  Liquid Chromatography with Orbitrap High-Resolution Mass Spectrometry for the Determination of Glucose in Saliva Following Derivatization with Dibenzylamine.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2024.2389927]