1-(2-methoxyethyl)-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione - ≥95% , CAS No.76361-14-3

CAS: 76361-14-3 Cat. No.: M1031163 Peso molecular: 299.29 PubChem CID: 20562058
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
M1031163-1g
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330,90US$
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Why this grade

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

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Storage & shipping

Room temperature Ships 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
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCOCCN1C2=NC(=NC=C2C(=O)OC1=O)C3=CC=CC=C3
IUPAC Name1-(2-methoxyethyl)-7-phenylpyrimido[4,5-d][1,3]oxazine-2,4-dione
InChIKeyPVENCEDSKVTUAC-UHFFFAOYSA-N
INCHI1S/C15H13N3O4/c1-21-8-7-18-13-11(14(19)22-15(18)20)9-16-12(17-13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
Isómeros SMILES COCCN1C2=NC(=NC=C2C(=O)OC1=O)C3=CC=CC=C3
PubChem CID 20562058
Peso molecular 299.29

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
ClaseDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrimidines and pyrimidine derivatives
Alternative Parents Benzene and substituted derivatives  Vinylogous amides  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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 molecular299.280 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass299.091 Da
Monoisotopic Mass299.091 Da
Topological Polar Surface Area81.600 Ų
Heavy Atom Count22
Formal Charge0
Complexity425.000
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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