基本情報
- CAS
82972-28-9- 標準SMILES
COC(=O)CCN1CCNCC1.Cl.Cl- InChIKey
DXHPUWREJXMEDA-UHFFFAOYSA-N- 分子式
- C8H18Cl2N2O2
- 平均分子量
- 245.14 g/mol
- 単同位体質量
- 244.0745332
名称と識別子
- 優先名称
- Methyl 3-(piperazin-1-yl)propanoate dihydrochloride
- IUPAC
- methyl 3-piperazin-1-ylpropanoate;dihydrochloride
名称と別名
methyl 3-(piperazin-1-yl)propanoate dihydrochloride82972-28-9RefChem:815059843-742-8methyl 3-piperazin-1-ylpropanoate;dihydrochlorideMFCD12913213methyl 3-(1-piperazinyl)propanoate dihydrochlorideMETHYL 3-PIPERAZIN-1-YLPROPANOATE DIHYDROCHLORIDESCHEMBL8480707DXHPUWREJXMEDA-UHFFFAOYSA-NHDA97228AKOS015900436
名称をさらに表示
AT22940AS-94653SY086688CS-0251008EN300-53171methyl3-(piperazin-1-yl)propanoatedihydrochlorideF354428METHYL 3-(PIPERAZIN-1-YL)PROPANOATE 2HCL
データベース識別子
- CAS
82972-28-9- PubChem CID
- 45792123
- EC Number
- 843-742-8
物性
構造計算による物性
- 極性表面積
- 41.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 144
安全と法規制
GHS分類
GHS Classification
Warning
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]
P261, P264, P264+P265, 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. 2A (100%)；STOT SE 3 (100%)
関連反応
2 件
化合物ノート
読み込み中…