2-Isopropenylaniline - ≥98% , CAS No.52562-19-3

CAS: 52562-19-3 Cat. No.: I170789 Summenformel: C₉H₁₁N Molekulargewicht: 133.19 EG-Nummer: 258-008-7

GRADE & PURITY ≥98%

Synonyms

HEDYZFYQYPWWCC-UHFFFAOYSA-N | EN300-94868 | o-Isopropenylaniline | 2-(Prop-1-en-2-yl)aniline | 3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone | 2-Isopropenylaniline, >=98% | Benzenamine, 2-(1-methylethenyl)- | DTXSID2068767 | MET

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

HEDYZFYQYPWWCC-UHFFFAOYSA-N | EN300-94868 | o-Isopropenylaniline | 2-(Prop-1-en-2-yl)aniline | 3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone | 2-Isopropenylaniline, >=98% | Benzenamine, 2-(1-methylethenyl)- | DTXSID2068767 | MET

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504756320
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756320
• Kanonisches Lächeln: CC(=C)C1=CC=CC=C1N
• IUPAC Name: 2-prop-1-en-2-ylaniline
• InChIKey: HEDYZFYQYPWWCC-UHFFFAOYSA-N
• INCHI: 1S/C9H11N/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1,10H2,2H3
• Isomere SMILES: CC(=C)C1=CC=CC=C1N
• Molekulargewicht: 133.19
• Reaxy-Rn: 3081217
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3081217&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylpropenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropenes
• Alternative Parents: Styrenes Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropene - Aniline or substituted anilines - Styrene - 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 phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.57 (lit.)
• Siedepunkt (°C): 95 °C/13 mmHg (lit.)
• Molekulargewicht: 133.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 133.089 Da
• Monoisotopic Mass: 133.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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