19542-77-9 (S-苄基硫醇尿酸,N-Acetyl-S-benzyl-L-cysteine)

CAS号:
19542-77-9
中文名称:
S-苄基硫醇尿酸
英文名称:
N-Acetyl-S-benzyl-L-cysteine
分子式:
C12H15NO3S
分子量:
253.317402124405

S-苄基硫醇尿酸(19542-77-9)名称与标识符

名称

中文别名:
S-苄基-N-乙酰基-L-半胱氨酸;N-乙酰基卞基半胱氨酸;N-乙酰基-s-苄基-l-半胱氨酸;S-苄基硫醇尿酸;(R)-2-乙酰氨基-3-(苄基硫代)丙酸;
英文别名:
L-Cysteine,N-acetyl-S-(phenylmethyl)-;N-ACETYL-S-BENZYL-L-CYSTEINE;ACETYL BENZYL CYSTEINE;Benzylmercapturic Acid;N-acetyl-S-benzyl cysteine;N-Acetyl-S-benzyl-L-cystein;N-Acetyl-S-phenyl-L-cysteine methyl ester;S-benzyl mercapturic acid;S-Benzyl-N-acetyl-L-cystein;s-benzyl-n-acetyl-l-cysteine;N-Acetyl-S-(phenylmethyl)-L-cysteine;N-Acetyl-3-(benzylthio)-alanine;N-Acetyl-3-(benzylthio)-L-alanine;N-Acetyl-S-benzylcysteine;S-Benzylmercapturic acid;N-Acetyl-S-benzyl-L-cysteine,99%;MFCD00038237;AC-29503;(R)-2-ACETAMIDO-3-(BENZYLTHIO)PROPANOIC ACID;N-Acetyl-S-(phenylmethyl)-L-cysteine; N-Acetyl-3-(benzylthio)-alanine; Benzylmercapturic Acid; Acetyl Benzyl Cysteine; S-Benzylmercapturic Acid;;(2R)-2-acetamido-3-benzylsulanylpropanoic acid;(2R)-2-acetamido-3-benzylsulfanylpropanoic acid;CHEBI:165854;UNII-X3H719RFPT;SBNAC;19542-77-9;DS-9210;n -acetyl-S-(benzyl)-l-cysteine;F31244;N-Acetyl-S-benZyl-L-cysteine (Ac-L-Cys(BZl)-OH);X3H719RFPT;L-Cysteine, N-acetyl-S-(phenylmethyl)-;AKOS024306968;(2R)-2-acetamido-3-benzylsulfanyl-propanoic acid;CS-0154009;Q4890819;DTXSID90894753;(2R)-3-(benzylsulfanyl)-2-acetamidopropanoic acid;2R)-2-ACETAMIDO-3-(PHENYLMETHYLSULFANYL)PROPANOIC ACID;SCHEMBL7282451;

标识符

MDL:
MFCD00038237
InChIKey:
BJUXDERNWYKSIQ-NSHDSACASA-N
Inchi:
1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
SMILES:
S(CC1C=CC=CC=1)C[C@@H](C(=O)O)NC(C)=O

S-苄基硫醇尿酸(19542-77-9)物化性质

实验特性

  • LogP : 1.90000
  • PSA : 91.70000
  • 折射率 : 1.6280 (estimate)
  • 沸点 : 506.2℃/760mmHg
  • 熔点 : 157 ºC
  • 闪点 : 259.9 °C
  • 溶解度 : 微溶 (8.9 g/L) (25 ºC),
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.246±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 253.07700
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 7
  • 同位素质量 : 253.077264
  • 重原子数量 : 17
  • 复杂度 : 259
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2
  • 表面电荷 : -1
  • 拓扑分子极性表面积 : 69.2

S-苄基硫醇尿酸(19542-77-9)安全信息

S-苄基硫醇尿酸(19542-77-9)海关数据

海关编码:
2930909090
海关数据:

中国海关编码:

2930909090

概述:

2930909090. 其他有机硫化合物. 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:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

S-苄基硫醇尿酸(19542-77-9)推荐厂家 更多厂家(20)

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S-苄基硫醇尿酸(19542-77-9) MSDS

基础信息

Name:n-Acetyl-s-phenyl-l-cysteine methyl ester Material Safety Data Sheet
Synonym:
CAS:19542-77-9
Section 1 - Chemical Product ? MSDS Name:n-Acetyl-s-phenyl-l-cysteine methyl ester Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
19542-77-9N-acetyl-s-phenyl-l-cysteine methyl es100.0unlisted
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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19542-77-9: 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 to light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 139-143 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: C12H15NO3S
Molecular Weight: 253.32

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 19542-77-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-acetyl-s-phenyl-l-cysteine methyl ester - 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 7/8 Keep container tightly closed and dry.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 19542-77-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19542-77-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19542-77-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A