1-Piperazineethanamine,4-(phenylmethyl)-
- 中文别名：1-(2-氨乙基)-4-苄基哌嗪
- 中文释义：1-(2-氨乙基)-4-苄基哌嗪;1-氨乙基-4-苯甲基哌嗪;2-(4-苄基哌嗪基)乙基-1-胺;4-苄基-1-哌嗪乙胺;1-(2-氨乙基)-4-苯基哌嗪
- 英文别名：2-(4-benzylpiperazin-1-yl)ethanamine;
2-(4-Benzyl-1-piperazinyl)ethylamine;
2-(4-benzyl-piperazino)-ethylamine;
2-(4-Benzylpiperazin-1-yl)ethanamine;
2-(4-benzylpiperazin-1-yl)-ethylamine;
4-Benzyl-1-piperazineethanamine;
2-(1-benzylpiperazin-4-yl)ethylamine;
2-(4-Benzylpiperazin-1-Yl)Ethan-1-Amine;
2-(4-benzylpiperazino)ethan-1-amine;
2-(4-benzyl-1-piperazinyl)ethanamine;
2-[4-(phenylmethyl)-1-piperazinyl]ethylamine;
1-(2-Aminoethyl)-4-benzyl piperazine;
2-[4-benzylpiperazinyl]ethylamine;
1-(2-Aminoethyl)-4-benzylpiperazine
- CAS No.：4553-21-3
- 分子式：
C13H21N3
- 分子量：219.33
- 精确分子量：219.17400
- PSA：32.50000
- MDL：MFCD00831097
- InChI：InChI=1/C13H21N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12,14H2/p+3
- 分子结构式：
物化性质
- 外观与性状：
- 液体
- 密度：
- 1.053 g/cm3
- 熔点：
- 247ºC
- 沸点：
- 118 °C
- 闪点：
- 154.6ºC
- 存储条件/存储方法：
常温，避光，通风干燥处，密封保存
- 稳定性相关：
常温常压下稳定
- 其它信息：
1.性状：液体
2.密度（g/mL,25/4℃）：不确定3.相对蒸汽密度（g/mL,空气=1）：不确定4.熔点（ºC）：不确定5.沸点（ºC,常压）：1186.沸点（ºC,8mmHg）：不确定7.折射率：不确定8.闪点（ºC）：不确定9.比旋光度（º）：不确定10.自燃点或引燃温度（ºC）：不确定11.蒸气压（kPa,25ºC）：不确定12.饱和蒸气压（kPa,60ºC）：不确定13.燃烧热（KJ/mol）：不确定14.临界温度（ºC）：不确定15.临界压力（KPa）：不确定16.油水（辛醇/水）分配系数的对数值：不确定17.爆炸上限（%,V/V）：不确定18.爆炸下限（%,V/V）：不确定19.溶解性：不确定
安全信息
- 外观与性状：
- 液体
- 密度：
- 1.053 g/cm3
- 熔点：
- 247ºC
- 沸点：
- 118 °C
- 闪点：
- 154.6ºC
- 存储条件/存储方法：
常温，避光，通风干燥处，密封保存
- 稳定性相关：
常温常压下稳定
- 其它信息：
1.性状：液体
2.密度（g/mL,25/4℃）：不确定3.相对蒸汽密度（g/mL,空气=1）：不确定4.熔点（ºC）：不确定5.沸点（ºC,常压）：1186.沸点（ºC,8mmHg）：不确定7.折射率：不确定8.闪点（ºC）：不确定9.比旋光度（º）：不确定10.自燃点或引燃温度（ºC）：不确定11.蒸气压（kPa,25ºC）：不确定12.饱和蒸气压（kPa,60ºC）：不确定13.燃烧热（KJ/mol）：不确定14.临界温度（ºC）：不确定15.临界压力（KPa）：不确定16.油水（辛醇/水）分配系数的对数值：不确定17.爆炸上限（%,V/V）：不确定18.爆炸下限（%,V/V）：不确定19.溶解性：不确定
毒理性
- 毒理学数据：
主要的刺激性影响
在皮肤上面：刺激皮肤和粘膜在眼睛上面：刺激的影响致敏作用：没有已知的敏化影响
- 生态数据：
通常对水是不危害的，若无政府许可，勿将材料排入周围环境
MSDS
| Name: | 2-(4-Benzylpiperazino)ethan-1-amine 95+% Material Safety Data Sheet |
| Synonym: | 1-(2-Aminoethyl)-4-benzylpiperazin |
| CAS: | 4553-21-3 |
Section 1 - Chemical Product MSDS Name:2-(4-Benzylpiperazino)ethan-1-amine 95+% Material Safety Data Sheet
Synonym:1-(2-Aminoethyl)-4-benzylpiperazin
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 4553-21-3 | 2-(4-Benzylpiperazino)ethan-1-amine | 95+% | unlisted |
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.
Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.
Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.
Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4553-21-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 123 - 124 deg C @0.2mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H21N3
Molecular Weight: 219
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4553-21-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Benzylpiperazino)ethan-1-amine - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
IATA
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III
Section 15 - REGULATORY INFORMATION
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 4553-21-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4553-21-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4553-21-3 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2933599090
- 概述：
- 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
- 摘要/Summary：
- 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、摩尔折射率：67.60
2、摩尔体积（m3/mol）：208.43、等张比容（90.2K）：537.04、表面张力（dyne/cm）：44.35、极化率（10-24cm3）：26.80
计算化学数据
1.疏水参数计算参考值（XlogP）:0.6
2.氢键供体数量:1
3.氢键受体数量:3
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积32.5
7.重原子数量:16
8.表面电荷:0
9.复杂度:182
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
