3-[[(1S,2S)-2-(1-Piperidinyl)cyclohexyl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione - ≥95% , CAS No.1312991-08-4

CAS: 1312991-08-4 Cat. No.: S281515 Peso molecular: 421.5 PubChem CID: 54589687
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
S281515-50mg
2
134,90US$
250mg
S281515-250mg
2
469,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Pubchem Sid504771326
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504771326
Sonrisas canónicasC1CCN(CC1)C2CCCCC2NC3=C(C(=O)C3=O)NC4=CC=C(C=C4)C(F)(F)F
IUPAC Name3-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
InChIKeyJRSCPJJNZMRAQS-IRXDYDNUSA-N
INCHI1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m0/s1
Isómeros SMILES C1CCN(CC1)[C@H]2CCCC[C@@H]2NC3=C(C(=O)C3=O)NC4=CC=C(C=C4)C(F)(F)F
PubChem CID 54589687
Peso molecular 421.5

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeFechaArticulo
H2112303Certificate of AnalysisMay 07, 2024 S281515
H2112304Certificate of AnalysisMay 07, 2024 S281515
Propiedades químicas y físicas
Peso molecular421.500 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass421.198 Da
Monoisotopic Mass421.198 Da
Topological Polar Surface Area61.400 Ų
Heavy Atom Count30
Formal Charge0
Complexity692.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
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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