(S)-(+)-1-Aminoindan - ≥97% , CAS No.61341-86-4

CAS: 61341-86-4 Cat. No.: S469445 Peso molecular: 133.19 Número EC: 627-234-1

GRADE & PURITY ≥97%

Synonyms

(S)-(+)-1-Aminoindane, 98+%, ee 99+% | AKOS016842308 | UNII-S5CM3PDV4Z | (+)-1-Aminoindan | (1S)-2,3-dihydro-1H-inden-1-amine | (1~{S})-2,3-dihydro-1~{H}-inden-1-amine | (S)-INDAN-1-YLAMINE | (S)-indane amine | 1(S)-aminoindan | (S)-(+)-1-Aminoindan | TS-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-(+)-1-Aminoindane, 98+%, ee 99+% | AKOS016842308 | UNII-S5CM3PDV4Z | (+)-1-Aminoindan | (1S)-2, 3-dihydro-1H-inden-1-amine | (1~{S})-2, 3-dihydro-1~{H}-inden-1-amine | (S)-INDAN-1-YLAMINE | (S)-indane amine | 1(S)-aminoindan | (S)-(+)-1-Aminoindan | TS-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488195970
• Sonrisas canónicas: C1CC2=CC=CC=C2C1N
• IUPAC Name: (1S)-2,3-dihydro-1H-inden-1-amine
• InChIKey: XJEVHMGJSYVQBQ-VIFPVBQESA-N
• INCHI: 1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1
• Isómeros SMILES: C1CC2=CC=CC=C2[C@H]1N
• Peso molecular: 133.19
• 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 Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Aralkylamine - Organic nitrogen 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: n20/D 1.562 (lit.)
• Rotación específica [α]: [α]20/D +16.5°, c = 1.5 in methanol
• Punto de inflamación (°C): 94℃
• Punto de ebullición (°C): 96-97 °C/8 mmHg (lit.)
• 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: 1
• 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