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

CAS: 52562-19-3 Cat. No.: I170789 Fórmula: C₉H₁₁N Peso molecular: 133.19 Número CE: 258-008-7

GRAU & PUREZA ≥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

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504756320

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756320

Sorrisos canónicos

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

SMILES isoméricas

CC(=C)C1=CC=CC=C1N

Peso molecular

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.57 (lit.)
• Ponto de ebulição (°C): 95 °C/13 mmHg (lit.)
• Peso molecular: 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