5-Nitro-indan-2-ylamine hydrochloride , CAS No.73536-87-5

CAS: 73536-87-5 Cat. No.: N1359490 Molecular Weight: 214.65 EC Number: 802-063-7

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1C(CC2=C1C=CC(=C2)[N+](=O)[O-])N.Cl
• IUPAC Name: 5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
• InChIKey: FFGLVSGGGJOMQY-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O2.ClH/c10-8-3-6-1-2-9(11(12)13)5-7(6)4-8;/h1-2,5,8H,3-4,10H2;1H
• Molecular Weight: 214.65

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: Nitroaromatic compounds Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Nitroaromatic compound - Aralkylamine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary aliphatic amine - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organic salt - Organic oxide - Hydrochloride - Hydrocarbon derivative - Organic cation - 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

• Molecular Weight: 214.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 214.051 Da
• Monoisotopic Mass: 214.051 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 214.000
• 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: 2

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