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

CAS: 126456-43-7 Cat. No.: A117276 Molecular Weight: 149.19 Beilstein Registry Number: 4292559 EC Number: 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

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

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488196376
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196376
• Canonical Smiles: 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
• Isomeric SMILES: C1[C@H]([C@H](C2=CC=CC=C21)N)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air sensitive.
• Specific Rotation[α]: -43° (C=1,MeOH)
• Melt Point(°C): 118-121°C
• Molecular Weight: 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