(1S,2R)-(-)-cis-1-Amino-2-indanol - ≥99% , CAS No.126456-43-7

CAS: 126456-43-7 Cat. No.: A117276 Peso molecular: 149.19 Beilstein Registry Number: 4292559 Número EC: 603-144-8

GRADE & PURITY ≥99%

Synonyms

INDINAVIR SULFATE IMPURITY A [EP IMPURITY] | (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol | LOPKSXMQWBYUOI-BDAKNGLRSA-N | (1s, 2r)-cis-1-amino-2-indanol | (1S,2R)-1-aminoindan-2-ol | 2(R)-hydroxy-1(S)-aminoindane | cis-1-aminoindan-2-ol | (1S,2R)-(-)-1-Amino

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

INDINAVIR SULFATE IMPURITY A [EP IMPURITY] | (1S, 2R)-1-amino-2, 3-dihydro-1H-inden-2-ol | LOPKSXMQWBYUOI-BDAKNGLRSA-N | (1s, 2r)-cis-1-amino-2-indanol | (1S, 2R)-1-aminoindan-2-ol | 2(R)-hydroxy-1(S)-aminoindane | cis-1-aminoindan-2-ol | (1S, 2R)-(-)-1-Amino

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488196376
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196376
• Sonrisas canónicas: C1C(C(C2=CC=CC=C21)N)O
• IUPAC Name: (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol
• InChIKey: LOPKSXMQWBYUOI-BDAKNGLRSA-N
• INCHI: 1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1
• Isómeros SMILES: C1[C@H]([C@H](C2=CC=CC=C21)N)O
• WGK Alemania: 3
• Peso molecular: 149.19
• Beilstein: 4292559
• Reaxy-Rn: 3246698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3246698&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 Secondary alcohols 1,2-aminoalcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Aralkylamine - Secondary alcohol - 1,2-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air sensitive.
• Rotación específica [α]: -43° (C=1,MeOH)
• Punto de fusión (°C): 118-121°C
• Peso molecular: 149.190 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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