1-Aminoindan - ≥98% , CAS No.34698-41-4

CAS: 34698-41-4 Cat. No.: A114505 Peso molecular: 133.19 Beilstein Registry Number: 3196205 Número EC: 252-158-7

GRADE & PURITY ≥98%

Synonyms

D10803 | FT-0605238 | STR03738 | AB00328 | EN300-24105 | rac-1-aminoindane | SCHEMBL12787610 | 1-Aminoindane | 1-amino-indane | 1H-Inden-1-amine, 2,3-dihydro-, (+-)- | NCIOpen2_000245 | 2,3-Dihydro-1h-inden-1-ylamine;1-Aminohydrindene | NCGC00184208-01 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

D10803 | FT-0605238 | STR03738 | AB00328 | EN300-24105 | rac-1-aminoindane | SCHEMBL12787610 | 1-Aminoindane | 1-amino-indane | 1H-Inden-1-amine, 2, 3-dihydro-, (+-)- | NCIOpen2_000245 | 2, 3-Dihydro-1h-inden-1-ylamine;1-Aminohydrindene | NCGC00184208-01 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187740
• Sonrisas canónicas: C1CC2=CC=CC=C2C1N
• IUPAC Name: 2,3-dihydro-1H-inden-1-amine
• InChIKey: XJEVHMGJSYVQBQ-UHFFFAOYSA-N
• INCHI: 1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
• Isómeros SMILES: C1CC2=CC=CC=C2C1N
• WGK Alemania: 3
• Peso molecular: 133.19
• Beilstein: 3196205
• Reaxy-Rn: 2206707
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206707&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: heat sensitive ；air sensitive
• Índice de refracción: 1.561
• Punto de inflamación (°F): 201.2 °F
• Punto de inflamación (°C): 94 °C
• Punto de ebullición (°C): 96-97°C
• Punto de fusión (°C): 15°C
• Peso molecular: 133.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1