2-Benzylaniline - ≥98% , CAS No.28059-64-5

CAS: 28059-64-5 Cat. No.: B133142 分子式: C₆H₅CH₂C₆H₄NH₂ 分子量: 183.25 Beilstein Registry Number: 2803264 EC番号: 248-806-3

グレード＆純度 ≥98%

Synonyms

EN300-20540 | o-Aminodiphenylmethane | W-107078 | 2-Benzylaniline, purum, >=99.0% (NT) | 2-Benzylaniline, >=99% | alpha-phenyl-o-toluidine | Z104478692 | AMY14513 | EINECS 248-806-3 | o-Benzylaniline | 2-Benzyl-phenylamine | MFCD00007750 | o-Toluidine, .a

Storage

Room temperature

Shipped In

Normal

仕様

同義語

EN300-20540 | o-Aminodiphenylmethane | W-107078 | 2-Benzylaniline, purum, >=99.0% (NT) | 2-Benzylaniline, >=99% | alpha-phenyl-o-toluidine | Z104478692 | AMY14513 | EINECS 248-806-3 | o-Benzylaniline | 2-Benzyl-phenylamine | MFCD00007750 | o-Toluidine, .a

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488187616

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187616

カノニカル・スマイル

C1=CC=C(C=C1)CC2=CC=CC=C2N

IUPAC Name

2-benzylaniline

InChIKey

DWOBGCPUQNFAFB-UHFFFAOYSA-N

INCHI

1S/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2

異性体SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2N

WGKドイツ

3

分子量

183.25

Beilstein

2803264

Reaxy-Rn

2803264

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803264&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

化学的性質と物理的性質

• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 172°C/12mmHg
• 融点（°C）: 49-54°C
• 分子量: 183.250 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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