N-Benzylaniline - ≥98%(GC) , CAS No.103-32-2

CAS: 103-32-2 Cat. No.: N137951 Molecular Weight: 183.25 Beilstein Registry Number: 121023 EC Number: 203-100-4

GRADE & PURITY ≥98%(GC)

Synonyms

N-Benzylaniline, >=99% | N-phenyl-N-benzylamine | STL282664 | AKOS000121492 | Aniline, N-benzyl- | Benzenemethanamine, N-phenyl- | P0159 | MFCD00003018 | N-benzyl aniline | N-Phenylbenzylamine N-Benzylaniline | UNII-R1FVH9A316 | N-(phenylmethyl)aniline |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

N-Benzylaniline was used in the separation of tervalent gallium, indium and thallium by solvent extraction method

Product Describtion:

The electropolymerisation of N-benzylaniline at transparent Indium Tin Oxide glass electrodes has been investigated by UV-visible spectroelectrochemistry. N-Benzylaniline on electrochemical oxidation in aqueous sulfuric acid solution produces an adherent conducting polymer film at the platinum electrode.

Specifications

Synonyms

N-Benzylaniline, >=99% | N-phenyl-N-benzylamine | STL282664 | AKOS000121492 | Aniline, N-benzyl- | Benzenemethanamine, N-phenyl- | P0159 | MFCD00003018 | N-benzyl aniline | N-Phenylbenzylamine N-Benzylaniline | UNII-R1FVH9A316 | N-(phenylmethyl)aniline |

Specifications & Purity

≥98%(GC)

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488183706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183706
• Canonical Smiles: C1=CC=C(C=C1)CNC2=CC=CC=C2
• IUPAC Name: N-benzylaniline
• InChIKey: GTWJETSWSUWSEJ-UHFFFAOYSA-N
• INCHI: 1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
• Isomeric SMILES: C1=CC=C(C=C1)CNC2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 183.25
• Beilstein: 121023
• Reaxy-Rn: 1867229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867229&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbenzamine - Phenylalkylamine - Aniline or substituted anilines - Benzylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCR4 Tclin C-X-C chemokine receptor type 4 (3338 Activities)

Discover Target: CXCR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: soluble in alcohol,chloroform,diethyl ether;water: insoluble
• Sensitivity: light and air sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 307°C
• Melt Point(°C): 35-38 °C
• Molecular Weight: 183.250 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 143.000
• 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

References

1. Wenfeng Zhao, Xiaoping Chi, Hu Li, Jian He, Jingxuan Long, Yufei Xu, Song Yang.  (2018)  Eco-friendly acetylcholine-carboxylate bio-ionic liquids for controllable N-methylation and N-formylation using ambient CO2 at low temperatures.  GREEN CHEMISTRY,  21  (3): (567-577).  [PMID:] [10.1039/C8GC03549K]

2. Hongyuan Wang, Rongqi Zhu, Po Yang, Yi Gu.  (2015)  A study on the chain propagation of benzoxazine.  Polymer Chemistry,  7  (4): (860-866).  [PMID:] [10.1039/C5PY01397F]

3. Pengyun Tan, Xiaotong Zhao, Zengshuai Zhang, Wuji Wei, Jiahao Zhou, Yingqing Shao, Xiaojing Ma, Shuangying Wei, Zhenhua Gao, Shuaiyuan Han.  (2024)  A Highly Effective Self-Healing Waterborne Polyurethane Vitrimer Containing Conjugated Schiff Base Bonds Driven by Photothermal.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c01274]