3-Benzylaniline - ≥97% , CAS No.61424-26-8

CAS: 61424-26-8 Cat. No.: B171173 Summenformel: C₁₃H₁₃N Molekulargewicht: 183.25 EG-Nummer: 624-079-1

QUALITÄT & REINHEIT ≥97%

Synonyms

3-(Phenylmethyl)benzenamine | AKOS006223928 | 3-benzylaniline | NSC210972 | NSC-210972 | GZYMMTQDXHJALZ-UHFFFAOYSA-N | DTXSID70976985 | PS-8519 | 3-Benzylaniline, 97% | 3-benzyl aniline | benzenamine, 3-(phenylmethyl)- | 3-(phenylmethyl)aniline | MFCD0131

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Spezifikationen

Synonyme

3-(Phenylmethyl)benzenamine | AKOS006223928 | 3-benzylaniline | NSC210972 | NSC-210972 | GZYMMTQDXHJALZ-UHFFFAOYSA-N | DTXSID70976985 | PS-8519 | 3-Benzylaniline, 97% | 3-benzyl aniline | benzenamine, 3-(phenylmethyl)- | 3-(phenylmethyl)aniline | MFCD0131

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)CC2=CC(=CC=C2)N

IUPAC Name

3-benzylaniline

InChIKey

GZYMMTQDXHJALZ-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC=C(C=C1)CC2=CC(=CC=C2)N

WGK Deutschland

3

Alternative CAS-Nummer

6955-30-2

UN-Nummer

1325

Verpackungsgruppe

III

Molekulargewicht

183.25

Reaxy-Rn

2803261

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803261&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Flammpunkt (°F): 111.2 °F
• Flammpunkt (°C): 44 °C
• Molekulargewicht: 183.250 g/mol
• XLogP3: 3.000
• 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