Determine the necessary mass, volume, or concentration for preparing a solution.
このグレードを選ぶ理由
ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。
保管・配送
Room temperature に出荷。正確な仕様については、ロット固有の COA をご確認ください。
品質書類
SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。
文献的裏付け
クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。
仕様
保管条件
Room temperature
名前と識別子
カノニカル・スマイル
C1COCCN1CC(=O)OCC(=O)C2=CC=CC=C2
IUPAC Name
phenacyl 2-morpholin-4-ylacetate
InChIKey
WIELTBTVQBNULW-UHFFFAOYSA-N
INCHI
1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)11-19-14(17)10-15-6-8-18-9-7-15/h1-5H,6-11H2
異性体SMILES
C1COCCN1CC(=O)OCC(=O)C2=CC=CC=C2
代替CAS番号
15518-84-0
PubChem CID
27362
ドキュメント
📋 安全データシート（SDS）
危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。
<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3詳細データ
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| 分類 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Alpha-acyloxy ketones Morpholines Trialkylamines Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Alpha-acyloxy ketone - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 263.290 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 263.116 Da |
| Monoisotopic Mass | 263.116 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 307.000 |
| 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 |
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