5-(1,1,1-Trifluoro-2-methylpropan-2-yl)isoxazol-3-amine - ≥98% , CAS No.1188911-74-1

CAS: 1188911-74-1 Cat. No.: T1346850 Peso molecular: 194.15 PubChem CID: 56954313
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
T1346850-100mg
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170,90US$
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCC(C)(C1=CC(=NO1)N)C(F)(F)F
IUPAC Name5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine
InChIKeyTWCGWZZURUKYJS-UHFFFAOYSA-N
INCHI1S/C7H9F3N2O/c1-6(2,7(8,9)10)4-3-5(11)12-13-4/h3H,1-2H3,(H2,11,12)
Isómeros SMILES CC(C)(C1=CC(=NO1)N)C(F)(F)F
PubChem CID 56954313
Peso molecular 194.15

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseImidolactams
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentImidolactams
Alternative Parents Isoxazoles  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Primary amines  Organooxygen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Imidolactam - Azole - Isoxazole - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular194.150 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass194.067 Da
Monoisotopic Mass194.067 Da
Topological Polar Surface Area52.100 Ų
Heavy Atom Count13
Formal Charge0
Complexity193.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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