Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学

Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 基本信息

中文名称:
Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 
中文别名:
Fmoc-3-(3-吡啶基)-D-丙氨酸;
FMOC-Β-(3-吡啶基)-D-ALA-OH;
FMOC-(3-吡啶基)-丙氧酸;
FMOC-D-3-(3-吡啶基)-丙氨酸;
Fmoc-β-(3-吡啶基)-D-Ala-OH;
芴甲氧羰基-3-(3-吡啶基)-D-丙氨酸;
N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 
英文名称:
3-Pyridinepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aR)-
英文别名:
(R)-N-Fmoc-(3-Pyridyl)alanine;
Fmoc-3-D-Pal-OH;
FMOC-D-ALA(3-PYRI)-OH;
Fmoc-D-Ala(3-pyridyl)-OH.HCl;
FMOC-3'-PYRIDYL-D-ALA;
FMOC-D-3-PAL;
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid;
Fmoc-3-(3-Pyridyl)-D-alanine;
FMOC-D-ALA(3-PYRIDYL)-OH;
FMOC-D-3-PYRIDYLALA;
Fmoc-3-(3-Pyridyl)-D-Alanine.HCI;
FMOC-D-3-PAL-OH;
RARECHEM AK ML 0092;
FMOC-D-3-PYRIDYLALANINE 
CAS No.:
142994-45-4
分 子 式:

C23H20N2O4

分 子 量:
388.42
精确分子量:
388.14200
PSA:
88.52000
MDL:
MFCD00080267
BRN:
9223259
InChI:
InChI=1/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/p-1/t21-/m1/s1
危险品标志:

 

风险术语:

 

安全术语:

S22;S24/25

分子结构式:
SDS:
查看

Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 物化性质

外观与性状:
白色粉末
密度:
1.309 g/cm3
熔点:
166.5 °C
沸点:
645.6ºC at 760 mmHg
闪点:
344.3ºC
蒸汽压:
1.5E-17mmHg at 25°C
存储条件/存储方法:

密封、在2 ºC -8 ºC下保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

其它信息:

1.        性状:白色晶体粉末

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):166.5

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):30

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

Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 安全信息

海关代码:
2933399090
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi: Irritant;

Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 MSDS

Name: (R)-N-FMOC-(3-Pyridyl)Alanine 95% (98% E.E.) Material Safety Data Sheet
Synonym: N-(9-Fluorenylmethoxycarbonyl)-3-Pyridyl-D-Alanine
CAS: 142994-45-4
Section 1 - Chemical Product   MSDS Name:(R)-N-FMOC-(3-Pyridyl)Alanine 95% (98% E.E.) Material Safety Data Sheet
Synonym:N-(9-Fluorenylmethoxycarbonyl)-3-Pyridyl-D-Alanine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
142994-45-4 (R)-N-FMOC-(3-Pyridyl)Alanine 95% 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.
Skin:
May cause skin irritation.
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. Wash mouth out with 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:
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. 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:
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# 142994-45-4: 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: Solid
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 166.5 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: C23H20N2O4
Molecular Weight: 388.42

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 142994-45-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-N-FMOC-(3-Pyridyl)Alanine - 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.
WGK (Water Danger/Protection)
CAS# 142994-45-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 142994-45-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 142994-45-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Fmoc-3-(3-吡啶基)-D-丙氨酸; N-(9-芴甲氧羰基)-3-吡啶基-D-丙氨酸 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:106.49

2、摩尔体积(cm3/mol):296.6

3、等张比容(90.2K):828.4

4、表面张力(dyne/cm):60.8

5、介电常数:无可用的

6、极化率(10-24cm3):42.21

7、单一同位素质量:388.142307 Da

8、标称质量:388 Da

9、平均质量:388.4159 Da

计算化学数据

1   疏水参数计算参考值(XlogP):4.2

2   氢键供体数量:1

3   氢键受体数量:5

4   可旋转化学键数量: 6

5   互变异构体数量:2

6   拓扑分子极性表面积(TPSA):91.4

7   重原子数量:29

8   表面电荷:-1

9   复杂度:556

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: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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