基本情報
- CAS
53053-08-0- 標準SMILES
[N-]=[N+]=Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1- InChIKey
LWAVGNJLLQSNNN-UHFFFAOYSA-N- 分子式
- C11H8N4O4
- 平均分子量
- 260.21 g/mol
- 単同位体質量
- 260.05455475
名称と識別子
- 優先名称
- Hydroxysuccinimidyl-4-azidobenzoate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate
- 現地名
- N-ヒドロキシスクシンイミジル4-アジド安息香酸
- 英語名
- N-Hydroxysuccinimidyl-4-azidobenzoate
- 分子式
- C11H8N4O4
- 分子量
- 260.21
名称と別名
名称をさらに表示
データベース識別子
- CAS
53053-08-0- PubChem CID
- 122153
- DTXSID
DTXSID40201094- UNII
- 8ZXQ80NJ3B
- EC Number
- 892-311-0
- Nikkaji
- J749.962K
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 78 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 434
物理化学的性質
- 融点
- 171 · 171-172°C
- 貯蔵温度
- 20 °C · −20°C
- 溶解性
- 50 mg/mL · クロロホルム: 50 mg/mL
- 外見
- 粉
- 色
- Off-white to yellow
安全と法規制
GHS分類
GHS Classification
Danger
H241 (50%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P210, P234, P235, P240, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P380+P375[+P378], P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
安全データ
- wgk
- 3
- hs_code
- 2928009090
化学と産業
薬理情報
MeSH Pharmacological Classification
Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids.
Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.
応用分野
解説hard and soft acids and bases(ハード酸,ハード塩基,ソフト酸,ソフト塩基の概念)の略記号.
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