基本情報
- 標準SMILES
Cl.O=C1CN2CCC1CC2- InChIKey
RFDPHKHXPMDJJD-UHFFFAOYSA-N- 分子式
- C7H12ClNO
- 平均分子量
- 161.63 g/mol
- 単同位体質量
- 161.06074168
名称と識別子
- 優先名称
- 1-Azabicyclo(2.2.2)octan-3-one, hydrochloride (1:1)
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-one;hydrochloride
名称と別名
1193-65-3Quinuclidin-3-one hydrochloride1-Azabicyclo[2.2.2]octan-3-one, hydrochloride1-Azabicyclo[2.2.2]octan-3-one, hydrochloride (1:1)EINECS 214-776-5NSC 91498DTXSID40615991-Azabicyclo(2.2.2)octan-3-one, hydrochloride1-Azabicyclo(2.2.2)octan-3-one, hydrochloride (1:1)RefChem:74921DTXCID4033500214-776-5
名称をさらに表示
3-Quinuclidinone hydrochloride3-Quinuclidone hydrochloride1-Azabicyclo[2.2.2]octan-3-one hydrochlorideC7H12ClNOMFCD001373913-QUINUCLIDINONE HCL1-azabicyclo[2.2.2]octan-3-one;hydrochloride1-Aza-3-oxobicyclo[2.2.2]octane
データベース識別子
- CAS
1193-65-3- PubChem CID
- 102019
- DTXSID
DTXSID4061599- ChEMBL
CHEMBL554124- UNII
- FL8QLN58RA
- EC Number
- 214-776-5
物性
構造計算による物性
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 136
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionOff-white powder; [Acros Organics MSDS]
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.8% (1 of 36) of reports.
H411 (88.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20773
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesAquatic Chronic 2 (88.9%)
化学と産業
用途と製造
General Manufacturing Information1-Azabicyclo[2.2.2]octan-3-one, hydrochloride (1:1): ACTIVE
関連反応
82 件
関連ノート
読み込み中…