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34522-32-2

34522-32-2结构式
34522-32-2结构式
  • 常用中文名:章鱼碱
  • 常用英文名:D-(+)-Octopine
  • CAS号:34522-32-2
  • 分子式:C9H18N4O4
  • 分子量:246.26400
  • 发布时间:2018-10-04 14:32:23
  • 更新时间:2024-01-04 18:37:29

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中文名 章鱼碱
英文名 D-octopine
中文别名 (+)-真蛸碱
英文别名 N2-(1-CARBOXYETHYL)-L-ARGININE
(R),(S)-octopine
N2-(1-Carboxyethyl)-L-arginine,N2-([R]-1-Carboxyethyl)-L-arginine
D-(+)-Octopine
N2-(1-Carboxyethyl)-L-arginine N2-([R]-1-Carboxyethyl)-L-arginine
(+)-OCTOPINE
N2-[(R)-1-CARBOXYETHYL]-L-ARGININE
密度 1.45g/cm3
沸点 526.4ºC at 760mmHg
熔点 283-284ºC(lit.)
分子式 C9H18N4O4
分子量 246.26400
闪点 272.1ºC
精确质量 246.13300
PSA 148.53000
LogP 0.34740
折射率 1.592
储存条件

密封、在 -20ºC下保存

稳定性

常温常压下稳定

计算化学

1、 疏水参数计算参考值(XlogP):-3.7

2、 氢键供体数量:5

3、 氢键受体数量:8

4、 可旋转化学键数量:8

5、 互变异构体数量:2

6、 拓扑分子极性表面积(TPSA):151

7、 重原子数量:17

8、 表面电荷:0

9、 复杂度:301

10、同位素原子数量:0

11、确定原子立构中心数量:1

12、不确定原子立构中心数量:1

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

更多

1. 性状:白色至茶色粉末

2. 密度(g/mL, 20 ℃ ):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):283-284

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,KPa):未确定

7. 折射率:未确定

8. 闪点(ºC):未确定

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(Pa,20ºC):未确定

12. 饱和蒸气压(KPa,20ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:未确定

Name: (+)-Octopine Material Safety Data Sheet
Synonym: None
CAS: 34522-32-2
Section 1 - Chemical Product MSDS Name:(+)-Octopine Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
34522-32-2 (+)-Octopine ca 100 unlisted
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 irritation of the digestive tract. 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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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:

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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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# 34522-32-2: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 283.00 - 284.00 deg C
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: C9H18N4O4
Molecular Weight: 246.27

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 34522-32-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(+)-Octopine - 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# 34522-32-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 34522-32-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 34522-32-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
安全声明 (欧洲) S24/25
海关编码 2925290090

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34522-32-2结构式

34522-32-2

文献:Journal of Biochemistry (Tokyo, Japan), , vol. 25, p. 283 Chem. Zentralbl., , vol. 109, # I p. 1133 Journal of Organic Chemistry, , vol. 11, p. 375

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34522-32-2结构式

34522-32-2

文献:Journal of the American Chemical Society, , vol. 79, p. 652,657 Anm. 32

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34522-32-2结构式

34522-32-2

文献:Journal of Biological Chemistry, , vol. 127, p. 573

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34522-32-2结构式

34522-32-2

文献:Bulletin of the Chemical Society of Japan, , vol. 55, # 1 p. 261 - 265

~%

34522-32-2结构式

34522-32-2

文献:Journal of the American Chemical Society, , vol. 79, p. 652,657 Anm. 32
海关编码 2925290090
中文概述 2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素 品名, 成分含量, 用途
Summary 2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%