CAS 1011-59-2 3-Chloro-N,N-dimethyl-3-phenylpropan-1-amine--hydrogen chloride (1/1) (HCID 12707240)

基本情報

CAS: 1011-59-2
標準SMILES: CN(C)CCC(Cl)c1ccccc1.Cl
InChIKey: KJBOLGFVUPJVKR-UHFFFAOYSA-N
分子式: C11H17Cl2N
平均分子量: 234.16 g/mol
単同位体質量: 233.0738049

名称と識別子

優先名称: 3-Chloro-N,N-dimethyl-3-phenylpropan-1-amine--hydrogen chloride (1/1)
IUPAC: 3-chloro-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride
英語名: (3-Chloro-3-phenyl-propyl)-dimethyl-amine hydrochloride
分子式: C11H16ClN
分子量: 197.7

名称と別名

79130-51-1DTXSID605075403-Chloro-N,N-dimethyl-3-phenylpropan-1-amine--hydrogen chloride (1/1)RefChem:278520DTXCID804583481011-59-23-Chloro-N,N-dimethyl-3-phenylpropan-1-amine hydrochloride(3-CHLORO-3-PHENYL-PROPYL)-DIMETHYL-AMINE HYDROCHLORIDEn,n-dimethyl-3-phenyl-3-chloropropylamine hydrochlorideMFCD04114488Atomoxetine Impurity 83-chloro-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride

名称をさらに表示

NPC Chloro compoundTomoxetine impurity 21Atomoxetine Impurity 24Atomoxetine Impurity 9 HClAtomoxetine Impurity 2 HCl(3-Chloro-3-phenyl-propyl)-dimethyl-amineBenzenepropanamine, γ-chloro-N,N-dimethyl-3-chloro-N,N-dimethyl-3-phenylpropan-1-amineN-(3-chloro-3-phenylpropyl)-N,N-dimethylamine(3-Choro-3-phenyl-propyl)-dimethyl-amine hydrochloride

(3-chloro-3-phenylpropyl)dimethylamine hydrochloride3-chloro-N,N-dimethyl-3-phenyl-1-propanamine hydrochlorideBenzenepropanamine, gamma-chloro-N,N-dimethyl-, hydrochloride (1:1)KJBOLGFVUPJVKR-UHFFFAOYSA-NSCHEMBL4374402BAA01159SB30102DA-48389

データベース識別子

CAS: 1011-59-2、79130-51-1
PubChem CID: 12707240
DTXSID: DTXSID60507540
EC Number: 808-844-9

物性

構造計算による物性

極性表面積: 3.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 130

物理化学的性質

融点: 176 °C · 176 °C
沸点: 261.7 · 261.7±33.0 °C(Predicted)
比重(密度): 1.034 · 1.034±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.16 · 9.16±0.28(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesEye Irrit. 2A (100%)

化学と産業

サプライヤー12 社

天津始加生物医药科技有限公司15022261580 · [email protected]

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

梯尔希（南京）药物研发有限公司18012923235 · [email protected]

化合物ノート

読み込み中…