1-(2-Isopropylthiazol-4-yl)-N-methylmethanamine hydrochloride - ≥95% , CAS No.908591-25-3

CAS: 908591-25-3 Cat. No.: I304952 Molecular Weight: 206.74 EC Number: 108-471-5

GRADE & PURITY ≥95%

Synonyms

FT-0652554 | MFCD07369525 | 2-Isopropyl-4-[(N-methylamino)methyl]thiazole hydrochloride | 2-Isopropyl-4(((N-methyl)amino)methyl)thiazole hydrochloride | 2-Isopropyl-4-[(N-methylamino)methyl]thiazole hydrochloride, AldrichCPR | 1-(2-Isopropylthiazol-4-yl)-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

FT-0652554 | MFCD07369525 | 2-Isopropyl-4-[(N-methylamino)methyl]thiazole hydrochloride | 2-Isopropyl-4(((N-methyl)amino)methyl)thiazole hydrochloride | 2-Isopropyl-4-[(N-methylamino)methyl]thiazole hydrochloride, AldrichCPR | 1-(2-Isopropylthiazol-4-yl)-

Specifications & Purity

≥95%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488197627
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197627
• Canonical Smiles: CC(C)C1=NC(=CS1)CNC.Cl
• IUPAC Name: N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
• InChIKey: MZHCXYATKCSZHX-UHFFFAOYSA-N
• INCHI: 1S/C8H14N2S.ClH/c1-6(2)8-10-7(4-9-3)5-11-8;/h5-6,9H,4H2,1-3H3;1H
• Isomeric SMILES: CC(C)C1=NC(=CS1)CNC.Cl
• Molecular Weight: 206.74
• Reaxy-Rn: 14615550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14615550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aralkylamines Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

• Flash Point(°C): 93.4°C
• Boil Point(°C): 230.9ºC at 760 mmHg
• Melt Point(°C): 62-65°C
• Molecular Weight: 206.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.064 Da
• Monoisotopic Mass: 206.064 Da
• Topological Polar Surface Area: 53.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 117.000
• 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: 2

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