3-(2-氨基乙基)-6-甲氧基吲哚

3-(2-氨基乙基)-6-甲氧基吲哚 基本信息
CAS号 3610-36-4 分子式 C11H14N2O
分子量 190.24200 精确质量  190.11100
PSA  51.04000 LogP  2.37800

基本信息 展开↓

CAS号:
3610-36-4
3D弹球模型:
立即前往扯扯看
分子式:
C11H14N2O
分子量:
190.24200
中文名称:
3-(2-氨基乙基)-6-甲氧基吲哚
英文名称:
6-Methoxytryptamine
中文别名:
3-(2-氨基乙基)-6-甲氧基吲哚;
6-甲氧基色胺
英文别名:
6-Methoxytryptamine;
2-(6-methoxy-1H-indol-3-yl)ethanamine;
2-(6-Methoxy-1H-indol-3-yl)ethanamine;
3-(2-Aminoethyl)-6-methoxyindole
精确分子量/精确质量:
190.11100
极性分子表面积/PSA:
51.04000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00005663
EINECS:
222-778-2
PubChem:
24897160
InChI:
InChI=1/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3/p+1

物化性质展开↓

外观与性状:
淡黄色-棕色针状
密度:
1.171g/cm3
熔点:
146-147 °C(lit.)
沸点:
380ºC at 760mmHg
闪点:
183.6ºC
水溶解性:
MODERATELY SOLUBLE
存储条件/存储方法:

2-8℃,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定,黄色晶体

其它信息:

1.      性状:黄色晶体

2.      密度dg/mL,25/4):不确定

3.      相对蒸汽密度(g/mL,空气=1):不确定

4.      熔点mpºC):143-146                                         

5.      沸点(ºC,常压):不确定                                                     

6.      沸点bpºC,24mm):不确定

7.      折射率:不确定

8.      闪点fpºC):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:溶于水

安全信息展开↓

海关代码:
2933990090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34;R43
安全说明:
S45-S36/37/39-S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C:Corrosive;

合成路线查看所有的合成路线

  • 282103-23-5

    282103-23-5

  • ~90%

  • 3610-36-4

    3-(2-氨基乙基)-6-甲氧基吲哚

  • 26579-69-1

    1H-Pyrido[3,4-b]indol-1-one,2,3,4,9-tetrahydro-7-methoxy-

  • 3610-36-4

    3-(2-氨基乙基)-6-甲氧基吲哚

  • 109507-20-2

    6-methoxygramine methiodide

  • 3610-36-4

    3-(2-氨基乙基)-6-甲氧基吲哚

毒理性展开↓

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 展开↓

Name: 6-Methoxytryptamine 99% Material Safety Data Sheet
Synonym: None
CAS: 3610-36-4
Section 1 - Chemical Product   MSDS Name:6-Methoxytryptamine 99% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3610-36-4 6-Methoxytryptamine 99 222-778-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3610-36-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Needles
Color: light yellow-brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 146.00 - 147.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H14N2O
Molecular Weight: 190.24

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3610-36-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Methoxytryptamine - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 3610-36-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3610-36-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3610-36-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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展开↓

分子结构数据


1、  摩尔折射率:58.29

2、  摩尔体积(m3/mol):162.3

3、  等张比容(90.2K):433.0

4、  表面张力(dyne/cm):50.5

5、  极化率10-24cm3):23.10

 

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积51

7.重原子数量:14

8.表面电荷:0

9.复杂度:186

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

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