基本情報
- CAS
444287-88-1- 標準SMILES
[N-]=[N+]=NCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O- InChIKey
IQACOJIVZRDPIM-UHFFFAOYSA-N- 分子式
- C15H14N6O4
- 平均分子量
- 342.31 g/mol
- 単同位体質量
- 342.10765295
名称と識別子
- 優先名称
- 2-azido-N-(2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl)acetamide
- IUPAC
- 2-azido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
名称と別名
444287-88-12-azido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]acetamide2-azido-N-(2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl)acetamideRefChem:465493975-228-52-azido-N-[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]acetamideSCHEMBL13621972SCHEMBL30250216IQACOJIVZRDPIM-UHFFFAOYSA-NEN300-371521522-azido-N-[2-(2,6-dioxo(3-piperidyl))-1-oxoisoindolin-4-yl]acetamide
データベース識別子
- CAS
444287-88-1- PubChem CID
- 10268926
- EC Number
- 975-228-5
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 658
安全と法規制
GHS分類
GHS Classification
Danger
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]
P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；STOT RE 1 (100%)
関連反応
3 件
化合物ノート
読み込み中…