Scopoline - ≥98% , CAS No.487-27-4

CAS: 487-27-4 Cat. No.: S342718 分子式: C8H13NO2 分子量: 155.19 EC番号: 207-655-3 PubChem CID: 261184
注文可能
GRADE & PURITY ≥98%
Synonyms
SCHEMBL12618459 | 6-methyl-2-oxa-6-azatricyclo[3.3.1.0?,?]nonan-4-ol | NCIOpen2_001513 | MEGPURSNXMUDAE-UHFFFAOYSA-N | 4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-ol | Oscine | NSC93128 | NSC-93128 | DTXSID10871682 | CHEMBL1394721
Storage
Room temperature
Shipped In
Normal
★
Size
USA
ドイツ (EU)*
Price
Qty
100mg
S342718-100mg
1 在庫あり
—
$99.90
500mg
S342718-500mg
1 在庫あり
—
$319.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal 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

同義語
SCHEMBL12618459 | 6-methyl-2-oxa-6-azatricyclo[3.3.1.0?,?]nonan-4-ol | NCIOpen2_001513 | MEGPURSNXMUDAE-UHFFFAOYSA-N | 4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-ol | Oscine | NSC93128 | NSC-93128 | DTXSID10871682 | CHEMBL1394721
仕様と純度
≥98%
保管条件
Room temperature
入荷
Normal
純度
≥98%
名前と識別子
パブケム・シド528771719
カノニカル・スマイルCN1C2CC3CC1C(C2O)O3
IUPAC Name6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol
InChIKeyMEGPURSNXMUDAE-UHFFFAOYSA-N
INCHI1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3
異性体SMILES CN1C2CC3CC1C(C2O)O3
PubChem CID 261184
分子量 155.19

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

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Oxazepines
Subclass1,4-oxazepines
Intermediate Tree Nodes Not available
Direct Parent1,4-oxazepines
Alternative Parents Piperidines  Oxanes  N-alkylpyrrolidines  Monosaccharides  Tetrahydrofurans  Trialkylamines  Secondary alcohols  Cyclic alcohols and derivatives  1,2-aminoalcohols  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Para-oxazepine - Monosaccharide - Oxane - Piperidine - N-alkylpyrrolidine - Cyclic alcohol - Pyrrolidine - Tetrahydrofuran - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
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.

5 results found

Lot NumberCertificate Type日付商品
H2419567Certificate of AnalysisAug 02, 2024 S342718
H2419568Certificate of AnalysisAug 02, 2024 S342718
H2419569Certificate of AnalysisAug 02, 2024 S342718
H2419570Certificate of AnalysisAug 02, 2024 S342718
H2419571Certificate of AnalysisAug 02, 2024 S342718
化学的性質と物理的性質
沸点(°C)248° C at 760 mmHg (Predicted)
融点(°C)~47.53° C (Predicted)
分子量155.190 g/mol
XLogP3-0.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass155.095 Da
Monoisotopic Mass155.095 Da
Topological Polar Surface Area32.700 Ų
Heavy Atom Count11
Formal Charge0
Complexity197.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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