基本情報
- CAS
1330172-65-0- 標準SMILES
CN(CC(=O)c1ccc(O)c(O)c1)Cc1ccccc1- InChIKey
LVERDXLUFRHUKR-UHFFFAOYSA-N- 分子式
- C16H17NO3
- 平均分子量
- 271.31 g/mol
名称と識別子
- 優先名称
- 2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
- IUPAC
- 2-[benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
- 英語名
- 2-(BenzylMethylaMino)-3',4'-dihydroxyacetophenone-d3
- 分子式
- C16H17NO3
- 分子量
- 271.31108
名称と別名
2-[BENZYL(METHYL)AMINO]-1-(3,4-DIHYDROXYPHENYL)ETHANONE2-(Benzyl(methyl)amino)-1-(3,4-dihydroxyphenyl)ethanoneRefChem:459713814-489-036467-25-12-(Benzylmethylamino)-3',4'-dihydroxyacetophenoneM7UW1YUN32Adrenaline EP Impurity E1-(3,4-Dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanoneUNII-M7UW1YUN32Adrenaline impurity E [EP]MFCD18379199
名称をさらに表示
α-BenzylMethylaMino-3,4-dihydroxyacetophenone-d32-(Benzylmethylamino)-3',4'-dihydroxyacetophenone-d32-(Benzylmethylamino)-3',4'-dihydroxyacetophenone-d31-(3,4-Dihydroxyphenyl)-2-[Methyl(phenylMethyl)aMino]ethanone-d3
Acetophenone, 2-(benzylmethylamino)-3',4'-dihydroxy-2-[Benzyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethan-1-one1-(3,4-Dihydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone2-(benzyl(methyl)amino)-1-(3,4-dihydroxyphenyl)ethan-1-oneAcetophenone, 2-(benzylmethylamino)-3',4'-dihydroxy- (6CI); 1-(3,4-Dihydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethanone; a-Benzylmethylamino-3,4-dihydroxyacetophenone; 2-(Benzylmethylamino)-1-(3,4-dihydroxyphenyl)ethanone; Adrenaline Tartrate Imp. E (EP)N-BENZYL ADRENALONESCHEMBL4322968SCHEMBL30423344
データベース識別子
- CAS
1330172-65-0- UNII
- M7UW1YUN32
- EC Number
- 814-489-0
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 60.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 315
物理化学的性質
- 溶解性
- メタノール
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H301+H331 (33.3%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, 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.
危険有害性情報
Regulatory InformationStatus: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30234
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
化学と産業
応用分野
使用Labelled ephedrine intermediate.
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