基本情報
- CAS
1082268-38-9- 標準SMILES
COc1ccc2c(c1)C(O)(CN)CC2- InChIKey
AEQHOEVVPMKKDS-UHFFFAOYSA-N- 分子式
- C11H15NO2
- 平均分子量
- 193.24 g/mol
- 単同位体質量
- 193.11027872
名称と識別子
- 優先名称
- 1-(Aminomethyl)-2,3-dihydro-6-methoxy-1H-inden-1-ol
- IUPAC
- 1-(aminomethyl)-6-methoxy-2,3-dihydroinden-1-ol
名称と別名
1082268-38-91-(Aminomethyl)-6-methoxy-2,3-dihydro-1H-inden-1-olDTXSID7012235191-(Aminomethyl)-2,3-dihydro-6-methoxy-1H-inden-1-olRefChem:426947DTXCID101654794837-879-21-Hydroxy-6-methoxy-1-indanmethylamine1-(aminomethyl)-6-methoxy-2,3-dihydroinden-1-ol1H-Inden-1-ol, 1-(aminomethyl)-2,3-dihydro-6-methoxy-SCHEMBL9628555AEQHOEVVPMKKDS-UHFFFAOYSA-N
名称をさらに表示
HTB26838AKOS006316310EN300-7356635
データベース識別子
- CAS
1082268-38-9- PubChem CID
- 53638837
- DTXSID
DTXSID701223519- EC Number
- 837-879-2
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 55.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 209
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
関連反応
3 件
化合物ノート
読み込み中…