N-苯甲酰-DL-蛋氨酸

N-苯甲酰-DL-蛋氨酸 基本信息
CAS号 4703-38-2 分子式 C12H15NO3S
分子量 253.31700 精确质量  253.07700
PSA  95.19000 LogP  2.19750

等价的CAS号:

4703-38-2,10290-61-6,17966-61-9

基本信息 展开↓

CAS号:
4703-38-2
3D弹球模型:
立即前往扯扯看
分子式:
C12H15NO3S
分子量:
253.31700
中文名称:
N-苯甲酰-DL-蛋氨酸
英文名称:
2-benzamido-4-methylsulfanylbutanoic acid
中文别名:
N-苯甲酰-DL-蛋氨酸;
苯甲酰基-DL-蛋氨酸
英文别名:
2-benzamido-4-methylsulfanylbutanoic acid;
DL-N-benzoylmethionine;
Benzoyl-DL-methionine;
N-(phenylcarbonyl)methionine;
4-methylthio-2-(phenylcarbonylamino)butanoic acid;
Benzoyl-dl-methionine;
N-Benzoylmethionine;
N-benzoyl-D,L-methionine
精确分子量/精确质量:
253.07700
极性分子表面积/PSA:
95.19000
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:
MFCD00026044
PubChem:
24891608
InChI:
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t10-/m1/s1

物化性质展开↓

外观与性状:
白色至淡灰色-米色结晶粉末
密度:
1.237g/cm3
熔点:
152ºC
沸点:
529.7ºC at 760mmHg
闪点:
274.2ºC
存储条件/存储方法:

-20℃  避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:不确定

2.       密度(g/mL ,25/4℃):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):152

5.       沸点(ºC,常压):不确定

6.       沸点(ºC,11mmHg):不确定

7.       折射率:不确定

8.       闪点(ºF):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

危险类别码:
R20/21/22
安全说明:
26-36
危险标志:
Xn

合成路线查看所有的合成路线

  • 13602-48-7

    N-(2-oxooxolan-3-yl)benzamide

  • +

  • 5188-07-8

    甲硫醇钠

  • 4703-38-2

    N-苯甲酰-DL-蛋氨酸

  • 98-88-4

    苯甲酰氯

  • 4703-38-2

    N-苯甲酰-DL-蛋氨酸

  • 5188-07-8

    甲硫醇钠

  • 4703-38-2

    N-苯甲酰-DL-蛋氨酸

  • +

  • 7200-20-6

    N-benzoyl-DL-methionine ethyl ester

化学图谱

  1. N-苯甲酰-DL-蛋氨酸核磁图(1HNMR)

  2. N-苯甲酰-DL-蛋氨酸质谱(MS)

  3. N-苯甲酰-DL-蛋氨酸红外图谱(IR2)

  4. N-苯甲酰-DL-蛋氨酸红外图谱(IR1)

上一页 1/4 下一页

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: N-Benzoyl-D L-methionine 98% Material Safety Data Sheet
Synonym: None Known
CAS: 4703-38-2
Section 1 - Chemical Product   MSDS Name:N-Benzoyl-D L-methionine 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4703-38-2 N-Benzoyl-D,L-methionine 98% 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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
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 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. 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 cool, dry place. Store in a tightly closed container.

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# 4703-38-2: 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 151 - 152 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: insoluble
Specific Gravity/Density:
Molecular Formula: C12H15NO3S
Molecular Weight: 253.32

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4703-38-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Benzoyl-D,L-methionine - 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# 4703-38-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4703-38-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4703-38-2 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:67.92

2、   摩尔体积(m3/mol):204.7

3、   等张比容(90.2K):549.3

4、   表面张力(dyne/cm):51.8

5、   极化率10-24cm3):26.92

计算化学数据


1.疏水参数计算参考值(XlogP):1.8

2.氢键供体数量:2

3.氢键受体数量:4

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91.7

7.重原子数量:17

8.表面电荷:0

9.复杂度:265

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: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

上下游相关产品

上游产品

更多
  • 98-88-4

    苯甲酰氯

  • 59-51-8

    DL-甲硫氨酸

  • 7200-20-6

    N-benzoyl-DL-methionine ethyl ester

  • 5188-07-8

    甲硫醇钠

  • 13602-48-7

    N-(2-oxooxolan-3-yl)benzamide

下游产品

更多
  • 348-67-4

    D-蛋氨酸

  • 63-68-3

    L-蛋氨酸

  • 4703-38-2

    N-苯甲酰-DL-蛋氨酸

  • 10290-61-6

    BZ-MET-OH

  • 59-51-8

    DL-甲硫氨酸

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便