6-Methoxy-2,3-dihydro-1H-inden-1-amine - ≥98% , CAS No.103028-81-5

CAS: 103028-81-5 Cat. No.: M735316 Molecular Weight: 163.22 PubChem CID: 9920463

GRADE & PURITY ≥98%

Synonyms

2,3-Dihydro-6-methoxy-1H-inden-1-amine | 6-Methoxyindan-1-amine | 6-Methoxyindan-1-ylamine | 6-METHOXY-2,3-DIHYDRO-1H-INDEN-1-AMINE | 6-METHOXY-1-INDANAMINE

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 3-Dihydro-6-methoxy-1H-inden-1-amine | 6-Methoxyindan-1-amine | 6-Methoxyindan-1-ylamine | 6-METHOXY-2, 3-DIHYDRO-1H-INDEN-1-AMINE | 6-METHOXY-1-INDANAMINE

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: 1.2

Names and Identifiers

• Canonical Smiles: COC1=CC2=C(CCC2N)C=C1
• IUPAC Name: 6-methoxy-2,3-dihydro-1H-inden-1-amine
• InChIKey: VYGIPIBKCOYHFK-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6,10H,3,5,11H2,1H3
• Isomeric SMILES: COC1=CC2=C(CCC2N)C=C1
• PubChem CID: 9920463
• Molecular Weight: 163.22

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: Anisoles Aralkylamines Alkyl aryl ethers Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Phenol ether - Anisole - Aralkylamine - Alkyl aryl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - 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: 163.220 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.1 Da
• Monoisotopic Mass: 163.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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