基本情報
- CAS
1052542-35-4- 標準SMILES
CC(C)C(=O)N1CCNCC1.Cl- InChIKey
XRNGUCURTKUYOW-UHFFFAOYSA-N- 分子式
- C8H17ClN2O
- 平均分子量
- 192.68 g/mol
名称と識別子
- 優先名称
- 2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride
- IUPAC
- 2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
名称と別名
2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride1052542-35-4RefChem:474875983-002-22-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride1-isobutyrylpiperazine hydrochlorideSCHEMBL2047725XRNGUCURTKUYOW-UHFFFAOYSA-NMFCD07312077AKOS022180408SY139583CS-0440563
名称をさらに表示
EN300-10823E79583A1-016562-methyl-1-(1-piperazinyl)-1-propanone hydrochloride2-Methyl-1-(piperazin-1-yl)propan-1-onehydrochloride2-methyl-1-piperazin-1-yl-propan-1-one;hydrochlorideZ90665640
データベース識別子
- CAS
1052542-35-4- PubChem CID
- 16248995
- EC Number
- 983-002-2
物性
構造計算による物性
- 極性表面積
- 32.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 139
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
関連反応
3 件
化合物ノート
読み込み中…