基本情報
- CAS
1356600-10-6- 標準SMILES
COC(=O)[C@@H]1C[C@H]1c1ccc(N)cc1- InChIKey
ABLMNIKWSKUYMA-VHSXEESVSA-N- 分子式
- C11H13NO2
- 平均分子量
- 191.23 g/mol
- 単同位体質量
- 191.09462866
名称と識別子
- 優先名称
- rac-methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylate
- IUPAC
- trans-methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylate
名称と別名
1356600-10-6rac-methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylateRefChem:874495865-409-61030846-82-2Methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylaterel-Methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylateMethyl (1R,2R)-2-(4-aminophenyl)cyclopropanecarboxylaterac-methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylate, transMFCD30535704SCHEMBL3500211YQF3036
名称をさらに表示
ABLMNIKWSKUYMA-VHSXEESVSA-NCS-0139379C77481EN300-343098methyl (1R,2R)-2-(4-aminophenyl)cyclo propane carboxylatemethyl (1R,2R)-2-(4-aminophenyl)cyclopropane carboxylatetrans-Methyl -2-(4-aminophenyl)cyclopropane-1-carboxylatemethyl rel-(1R,2R)-2-(4-aminophenyl)cyclopropanecarboxylate
データベース識別子
- CAS
1356600-10-6- PubChem CID
- 68667437
- EC Number
- 865-409-6
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 52.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 221
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): 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)
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 Irrit. 2A (100%)；STOT SE 3 (100%)
関連反応
3 件
化合物ノート
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