基本情報
- CAS
6641-28-7- 標準SMILES
Cl.Cl.Nc1ccc(N2CCCCC2)cc1- InChIKey
HZLBCGZSDLAQOA-UHFFFAOYSA-N- 分子式
- C11H18Cl2N2
- 平均分子量
- 249.18 g/mol
- 単同位体質量
- 248.084704
名称と識別子
- 優先名称
- 4-(Piperidin-1-yl)aniline dihydrochloride
- IUPAC
- 4-piperidin-1-ylaniline;dihydrochloride
名称と別名
4-(piperidin-1-yl)aniline dihydrochlorideRefChem:516657842-972-66641-28-7SCHEMBL9014036HZLBCGZSDLAQOA-UHFFFAOYSA-NN-(4-aminophenyl)piperidine dihydrochlorideEN300-197433SR-01000397550SR-01000397550-1
データベース識別子
- CAS
6641-28-7- PubChem CID
- 23366940
- EC Number
- 842-972-6
物性
構造計算による物性
- 極性表面積
- 29.3 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 144
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
関連反応
3 件
化合物ノート
読み込み中…