Thiazol-5-ylmethanamine - ≥95% , CAS No.161805-76-1

CAS: 161805-76-1 Cat. No.: M709603 Molecular Weight: 114.17 EC Number: 691-824-5

GRADE & PURITY ≥95%

Synonyms

5-Thiazolemethanamine | [(1,3-Thiazol-5-yl)methyl]amine | [(Thiazol-5-yl)methyl]amine

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-Thiazolemethanamine | [(1, 3-Thiazol-5-yl)methyl]amine | [(Thiazol-5-yl)methyl]amine

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C(SC=N1)CN
• IUPAC Name: 1,3-thiazol-5-ylmethanamine
• InChIKey: XDNQVUAKCAPBIG-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2
• Isomeric SMILES: C1=C(SC=N1)CN
• Molecular Weight: 114.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

• Sensitivity: Light sensitive；Air sensitive
• Molecular Weight: 114.170 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 114.025 Da
• Monoisotopic Mass: 114.025 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 57.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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