N-BOC-N,2-二甲基丙氨酸

N-BOC-N,2-二甲基丙氨酸 基本信息
CAS号 146000-39-7 分子式 C10H19NO4
分子量 217.26200 精确质量  217.13100
PSA  66.84000 LogP  1.71650

基本信息 展开↓

CAS号:
146000-39-7
3D弹球模型:
立即前往扯扯看
分子式:
C10H19NO4
分子量:
217.26200
中文名称:
N-BOC-N,2-二甲基丙氨酸
英文名称:
N-BOC-N,2-Dimethylalanine
中文别名:
N-BOC-N,2-二甲基丙氨酸;
N-叔丁氧羰基-N,2-二甲基丙氨酸
英文别名:
N-BOC-N,2-Dimethylalanine;
2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
精确分子量/精确质量:
217.13100
极性分子表面积/PSA:
66.84000
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:
MFCD01862912
PubChem:
24846903
BRN:
7371082
InChI:
InChI=1/C10H19NO4/c1-9(2,3)15-8(14)11(6)10(4,5)7(12)13/h1-6H3,(H,12,13)/p-1

物化性质展开↓

熔点:
154-158ºC
沸点:
306.4ºC at 760mmHg
闪点:
139.1ºC
蒸汽压:
0.000176mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:白色结晶性粉末

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):154-158

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 2566-34-9

    2-(甲氨基)异丁酸水合物

  • +

  • 24424-99-5

    二碳酸二叔丁酯

  • ~94%

  • 146000-39-7

    N-BOC-N,2-二甲基丙氨酸

  • 30992-29-1

    N-叔丁氧羰基-2-甲基丙氨酸

  • +

  • 74-88-4

    甲基碘

  • ~82%

  • 146000-39-7

    N-BOC-N,2-二甲基丙氨酸

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: N-BOC-N 2-Dimethylalanine Material Safety Data Sheet
Synonym: N-tert-Butoxycarbonyl-2-dimethylalanin
CAS: 146000-39-7
Section 1 - Chemical Product   MSDS Name:N-BOC-N 2-Dimethylalanine Material Safety Data Sheet
Synonym:N-tert-Butoxycarbonyl-2-dimethylalanin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
146000-39-7 N-BOC-N,2-Dimethylalanine unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
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 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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 146000-39-7: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 154 - 158 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: C10H19NO4
Molecular Weight: 217.26

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 146000-39-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-BOC-N,2-Dimethylalanine - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 146000-39-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 146000-39-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 146000-39-7 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↓

分子结构数据


1、   摩尔折射率:55.36

2、   摩尔体积(m3/mol):199.0

3、   等张比容(90.2K):492.4

4、   表面张力(dyne/cm):37.4

5、   极化率10-24cm3):21.59

计算化学数据


1、   疏水参数计算参考值(XlogP):1.9

2、   氢键供体数量:0

3、   氢键受体数量:4

4、   可旋转化学键数量:3

5、   拓扑分子极性表面积(TPSA):69.7

6、   重原子数量:15

7、   表面电荷:-1

8、   复杂度:260

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

上下游相关产品

上游产品

更多
  • 30992-29-1

    N-叔丁氧羰基-2-甲基丙氨酸

  • 74-88-4

    甲基碘

  • 2566-34-9

    2-(甲氨基)异丁酸水合物

  • 24424-99-5

    二碳酸二叔丁酯

下游产品

更多
  • 220022-94-6

    N,n,2-三甲基丙氨酸

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便