3610-36-4 (6-甲氧基色胺,2-(6-methoxy-1H-indol-3-yl)ethan-1-amine)

CAS号:
3610-36-4
中文名称:
6-甲氧基色胺
英文名称:
2-(6-methoxy-1H-indol-3-yl)ethan-1-amine
分子式:
C11H14N2O
分子量:
190.241662502289

6-甲氧基色胺(3610-36-4)名称与标识符

名称

中文别名:
6-甲氧基色胺;3-(2-氨基乙基)-6-甲氧基吲哚;4'-乙基苯乙酮;3-(2-氨乙基)-6-甲氧基吲哚;
英文别名:
2-(6-Methoxy-1H-indol-3-yl)ethanamine;6-Methoxytryptamine analytical standard;[2-(6-Methoxy-1H-indol-3-yl)-ethyl]amine hydrochloride;6-methoxytryptamine;3-(2-Aminoethyl)-6-methoxyindole;2-(6-Methoxy-1H-indol-3-yl)-ethylamine;1H-INDOLE-3-ETHANAMINE, 6-METHOXY-;2-(2-Aminoethyl)-5-methoxyindole;1H-Indole-3-ethanamine,6-methoxy-;6-Methoxytryptamine hydrochloride;2-(6-methoxyindol-3-yl)ethylamine;CBDivE_000653;6-methoxy tryptamine;PubChem24288;6-MeOT;ChemDiv2_004125;Oprea1_535398;6-Methoxytryptamine, free bas;2-(6-methoxy-1H-indol-3-yl)ethan-1-amine;AKOS000265357;2-(6-METHOXY-1H-INDOL-3-YL)ETHANAMINIUM;NCGC00163351-01;2-(6-methoxy-1H-indol-3-yl)ethylamine;EN300-202601;?6-Methoxytryptamine;PDSP1_001697;HMS1380L11;FT-0621205;VOCGEKMEZOPDFP-UHFFFAOYSA-N;IDI1_002840;MFCD00005663;DTXSID80189680;Z1203162607;A6266;GS-3335;EINECS 222-778-2;6-Methoxytryptamine, free base;SCHEMBL379337;PDSP2_001680;SY109599;EU-0011857;3610-36-4;BDBM50028124;M-3560;83E56U9G2L;CHEMBL337825;AB00465;M3162;2-(6-methoxy-1h-indol-3-yl)ethyl amine;F5X;6-methoxy-1h-indole-3-ethanamine;6-Methoxytryptamine, analytical standard;CCG-112234;ALBB-021005;STL281843;DB-048919;

标识符

MDL:
MFCD00005663
InChIKey:
VOCGEKMEZOPDFP-UHFFFAOYSA-N
Inchi:
1S/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
SMILES:
O(C)C1C=CC2=C(C=1)NC=C2CCN

6-甲氧基色胺(3610-36-4)物化性质

实验特性

  • LogP : 2.37800
  • PSA : 51.04000
  • 折射率 : 1.5700 (estimate)
  • 水溶性 : MODERATELY 溶解
  • 沸点 : 325.75°C (rough estimate)
  • 熔点 : 141.0 to 145.0 deg-C
  • 蒸气压 : 0.0±0.9 mmHg at 25°C
  • 闪点 : 183.6±23.7 °C
  • 颜色与性状 : Pale-yellow to Yellow-brown Solid
  • 溶解性 : 溶于水
  • 最大波长(λmax) : 293(lit.)
  • 密度 : 1.0815 (rough estimate)

计算特性

  • 精确分子量 : 190.11100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 190.110613
  • 重原子数量 : 14
  • 复杂度 : 186
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 51

6-甲氧基色胺(3610-36-4)国际标准相关数据

EINECS:
222-778-2

6-甲氧基色胺(3610-36-4)海关数据

海关编码:
2933990090
海关数据:

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

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%

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6-甲氧基色胺(3610-36-4)相关文献

6-甲氧基色胺(3610-36-4)参考资料

Reaxys RN:
7948
PubChem CID:

6-甲氧基色胺(3610-36-4) MSDS

基础信息

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 NamecontentEINECS#
3610-36-46-Methoxytryptamine99222-778-2
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