Name: 1-(tert-Butyl)-1H-pyrazol-5-amine - ≥95% , CAS No.442850-71-7
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Clase	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Primary amines
Direct Parent	Primary aromatic amines
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Primary aromatic amine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as primary aromatic amines. These are primary amines where the only hydrocarbyl substituent of the amine group is aromatic. Primary amines have the general formula RNH2 (R=aryl).
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	139.200 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	139.111 Da
Monoisotopic Mass	139.111 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	10
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	1

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CC(C)(C)N1C(=CC=N1)N
IUPAC Name	2-tert-butylpyrazol-3-amine
InChIKey	NDKNRZPWSLAZNF-UHFFFAOYSA-N
INCHI	1S/C7H13N3/c1-7(2,3)10-6(8)4-5-9-10/h4-5H,8H2,1-3H3
Isómeros SMILES	CC(C)(C)N1C(=CC=N1)N
CAS alternativo	442850-71-7
PubChem CID	39869098
Peso molecular	139.2

1-(tert-Butyl)-1H-pyrazol-5-amine - ≥95% , CAS No.442850-71-7

Specifications