3-(Fmoc-氨基)-1-丙醇

3-(Fmoc-氨基)-1-丙醇 基本信息
CAS号 157887-82-6 分子式 C18H19NO3
分子量 297.34800 精确质量  297.13600
PSA  58.56000 LogP  3.29840

基本信息 展开↓

CAS号:
157887-82-6
3D弹球模型:
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分子式:
C18H19NO3
分子量:
297.34800
中文名称:
3-(Fmoc-氨基)-1-丙醇
英文名称:
Fmoc-beta-alaninol
中文别名:
3-(Fmoc-氨基)-1-丙醇;
3-(FMOC-氨基)-1-丙醇;
9-芴甲基 N-(3-羟丙基)氨基甲酸酯
英文别名:
Fmoc-beta-alaninol;
9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate
精确分子量/精确质量:
297.13600
极性分子表面积/PSA:
58.56000
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:
MFCD00409484
PubChem:
24870863
BRN:
6814792
InChI:
The Key: GNXZNUJDAMSJFZ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.212g/cm3
熔点:
124-126ºC
沸点:
518.9ºC at 760 mmHg
闪点:
267.6ºC
折射率:
1.6
蒸汽压:
1.36E-11mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。防潮。常用惰性气体保护。冷藏温度2-8ºC

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.      性状:固体

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):124-126

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.5mmHg):未确定

7.      折射率(n20/D):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(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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

安全信息展开↓

安全说明:
22-24/25
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;

合成路线查看所有的合成路线

  • 1001067-08-8

    9-fluorenylmethyl 3-nitro-1H-1,2,4-triazole-1-carboxylate

  • +

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    3-氨基-1-丙醇

  • ~97%

  • 157887-82-6

    3-(Fmoc-氨基)-1-丙醇

  • 82911-69-1

    9-芴甲基-N-琥珀酰亚胺基碳酸酯

  • +

  • 156-87-6

    3-氨基-1-丙醇

  • ~97%

  • 157887-82-6

    3-(Fmoc-氨基)-1-丙醇

  • 28920-43-6

    氯甲酸-9-芴基甲酯

  • +

  • 156-87-6

    3-氨基-1-丙醇

  • ~92%

  • 157887-82-6

    3-(Fmoc-氨基)-1-丙醇

MSDS 展开↓

Name: 9H-fluoren-9-ylmethyl n-(3-hydroxypropyl)carbamate 97% Material Safety Data Sheet
Synonym:
CAS: 157887-82-6
Section 1 - Chemical Product   MSDS Name:9H-fluoren-9-ylmethyl n-(3-hydroxypropyl)carbamate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
157887-82-6 9H-Fluoren-9-ylmethyl N-(3-hydroxyprop 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Store under nitrogen. Store under argon.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 157887-82-6: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 124 - 126 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: C18H19NO3
Molecular Weight: 297

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, acid chlorides, reducing agents, bases, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 157887-82-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
9H-Fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 157887-82-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 157887-82-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 157887-82-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):2.7

2.氢键供体数量:2

3.氢键受体数量:3

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58.6

7.重原子数量:22

8.表面电荷:0

9.复杂度:351

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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