uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384961B2
查看IDENTITY
结构与身份
- 标准SMILES
- Cl.NCCc1ccccc1
- InChIKey
- SKHIBNDAFWIOPB-UHFFFAOYSA-N
- 分子式
- C8H12ClN
- 平均分子量
- 157.64 g/mol
- 单同位素质量
- 157.0658271
COMPUTED
结构计算性质
- 极性表面积
- 26 Ų
- 氢键供体
- 2
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 65
PROPERTIES
实验与物化性质
Physical Description
White crystalline solid; [Aldrich MSDS]
GHS
GHS分类
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 (97.6%): 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)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Hazards Summary
Causes convulsions in intraperitoneal lethal-dose studies of mice and subcutaneous lethal-dose studies of rabbits; Causes mydriasis, tremor, convulsions, and dyspnea in subcutaneous studies of guinea pigs; [RTECS] A severe eye irritant; Causes lowered blood pressure, altered sleep time, and anorexia in acute toxic-dose studies of humans; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Aldrich MSDS] See 2-Phenylethylamine.
Hazard Classes and Categories
Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.6%)
TOXICITY
毒理信息
Adverse Effects
Neurotoxin - Other CNS neurotoxin
PHARMACOLOGY
药理信息
MeSH Pharmacological Classification
A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents).
USES
用途与制造
General Manufacturing Information
Benzeneethanamine, hydrochloride (1:1): ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
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