基本情報
- CAS
4629-78-1- 標準SMILES
CC1CNCCC1=O.Cl- InChIKey
GCQBLKABRBKHLY-UHFFFAOYSA-N- 分子式
- C6H12ClNO
- 平均分子量
- 149.62 g/mol
- 単同位体質量
- 149.0607417
名称と識別子
- 優先名称
- 3-Methyl-piperidin-4-one hydrochloride
- IUPAC
- 3-methylpiperidin-4-one;hydrochloride
- 現地名
- 3-メチルピペリジン-4-オン塩酸塩
- 英語名
- 3-Methylpiperidin-4-one hydrochloride
- 分子式
- C6H12ClNO
- 分子量
- 149.62
名称と別名
3-Methyl-piperidin-4-one hydrochlorideRefChem:504115676-235-33-methylpiperidin-4-one hydrochloride4629-78-1MFCD073699673-methyl-4-piperidone hydrochloride3-METHYL-PIPERIDIN-4-ONE HCL3-methylpiperidin-4-one;hydrochloride3-Methylpiperidin-4-one, HCl4-PIPERIDINONE, 3-METHYL-, HYDROCHLORIDE3-Methylpiperidin-4-one HCl
名称をさらに表示
3-メチルピペリジン-4-オン塩酸塩3-Methoxypiperidin-4-one hydrochloride3-methyl-4-Piperidinone hydrochloride (1:1)4-Piperidinone, 3-methyl-, hydrochloride (1:1)3-Methylpiperidin-4-one hydrochloride - [M14880]3-Methyl-piperidin-4-one hydrochloride, CAS 4629-78-1
SCHEMBL2379418DTXSID50627867GCQBLKABRBKHLY-UHFFFAOYSA-NCS-D00463-methylpiperidin-4-onehydrochlorideAKOS007930654PB23474AC-29528
データベース識別子
- CAS
4629-78-1- PubChem CID
- 22728864
- DTXSID
DTXSID50627867- EC Number
- 676-235-3
物性
構造計算による物性
- 極性表面積
- 29.1 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
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 101
物理化学的性質
- 融点
- 176.5 · 176.5-177 °C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- CAS データベース
- 4629 · 4629-78-1(CAS DataBase Reference)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)
Aggregated GHS information provided per 3 reports by companies from 3 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
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
安全データ
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
化学と産業
応用分野
使用3-Methylpiperidin-4-one hydrochloride is a chemical reagent that can be used as a pharmaceutical intermediate or organic synthesis reagent.
上流・下流製品情報
上流原料
関連反応
3 件
化合物ノート
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