O-苄基-L-丝氨酸甲酯盐酸盐

O-苄基-L-丝氨酸甲酯盐酸盐 基本信息
CAS号 19525-87-2 分子式 C11H16ClNO3
分子量 245.70300 精确质量 　245.08200
PSA 　61.55000 LogP 　2.20580
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
19525-87-2
分子式：
C11H16ClNO3
分子量：
245.70300
中文名称：
O-苄基-L-丝氨酸甲酯盐酸盐
英文名称：
O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE
中文别名：
O-苄基-L-丝氨酸甲酯盐酸盐;
(S)-2-氨基-3-(苄氧基)丙酸甲酯盐酸盐;
甲基-O-苄基-L-丝氨酸酯盐酸盐;
O-苯甲基-L-丝胺酸甲基酯盐酸盐
英文别名：
O-BENZYL-L-SERINE METHYL ESTER HYDROCHLORIDE;
O-Bn-L-Ser-OMe hydrochloride;
H-Ser(Bzl)-OMe·HCl;
O-Benzyl-L-serine Methyl Ester Hydrochloride;
o-benzyl-l-serinemethylesterHCl;
Benzylserinemethylesterhydrochloride;
METHYL O-BENZYL-L-SERINATE HYDROCHLORIDE;
O-methyl O-benzyl-L-serinate hydrochloride;
(S)-Methyl 2-amino-3-(benzyloxy)propanoate hydrochloride;
Methyl O-Benzyl-L-serinate Hydrochloride
精确分子量/精确质量：
245.08200
极性分子表面积/PSA：
61.55000
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。
InChI：
InChI=1/C11H15NO3/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3

物化性质展开↓

密度：
1.126g/cm3
沸点：
330.2ºC at 760 mmHg
闪点：
146.7ºC
蒸汽压：
0.000169mmHg at 25°C
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）：不确定

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：5 ° (C=1, MeOH)

8.       闪点（ºC）：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↓

海关代码：
2923900090

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 4726-96-9

    O-苄基-L-丝氨酸

  • →

    ~99%

  • 19525-87-2

    O-苄基-L-丝氨酸甲酯盐酸盐

  • 23680-31-1

    N-Boc-O-苄基-L-丝氨酸

  • →

    ~99%

  • 19525-87-2

    O-苄基-L-丝氨酸甲酯盐酸盐

  • 67-56-1

    甲醇

  • +

  • 76614-98-7

    (2S)-2-amino-3-phenylmethoxypropanoic acid,hydrochloride

  • →

    ~87%

  • 19525-87-2

    O-苄基-L-丝氨酸甲酯盐酸盐

化学图谱

  1. O-苯甲基-L-丝胺酸甲基酯盐酸盐红外图谱(IR1)

  2. O-苯甲基-L-丝胺酸甲基酯盐酸盐红外图谱(IR2)

  3. O-苯甲基-L-丝胺酸甲基酯盐酸盐质谱(MS)

  4. O-苯甲基-L-丝胺酸甲基酯盐酸盐核磁图(13CNMR)

  5. O-苯甲基-L-丝胺酸甲基酯盐酸盐核磁图(1HNMR)

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MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      O-Benzyl-l-serine methyl ester, HCl    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
    Ingredient name:        O-Benzyl-l-serine methyl ester, HCl    
    CAS number:        19525-87-2    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C11H15NO3.ClH    
    Molecular weight:        245.7    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2923900090

概述：
2923900090 其他季铵盐及季铵碱。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
摘要/Summary：
2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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：56.71

2、   摩尔体积（m3/mol）：185.6

3、   等张比容（90.2K）：474.0

4、   表面张力（dyne/cm）：42.4

5、   极化率（10-24cm3）：22.48

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