Name: 1-methyl-2-(trifluoromethyl)-1H-imidazol-5-amine - ≥97% , CAS No.1368300-02-0
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Trisubstituted imidazoles
Direct Parent	1,2,5-trisubstituted imidazoles
Alternative Parents	N-substituted imidazoles Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,5-trisubstituted-imidazole - N-substituted imidazole - Aminoimidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as 1,2,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 5.
External Descriptors	Not available
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	165.120 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	165.051 Da
Monoisotopic Mass	165.051 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146.000
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	1

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CN1C(=CN=C1C(F)(F)F)N
IUPAC Name	3-methyl-2-(trifluoromethyl)imidazol-4-amine
InChIKey	DVBXAXCMBVCZAF-UHFFFAOYSA-N
INCHI	1S/C5H6F3N3/c1-11-3(9)2-10-4(11)5(6,7)8/h2H,9H2,1H3
Isómeros SMILES	CN1C(=CN=C1C(F)(F)F)N
PubChem CID	82373964
Peso molecular	165.12

1-methyl-2-(trifluoromethyl)-1H-imidazol-5-amine - ≥97% , CAS No.1368300-02-0

Specifications