114524-80-0 (甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸,a-Methyl-D,L-tryptophan Methyl Ester)

CAS号:
114524-80-0
中文名称:
甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸
英文名称:
a-Methyl-D,L-tryptophan Methyl Ester
分子式:
C13H16N2O2
分子量:
232.278343200684

甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸(114524-80-0)名称与标识符

名称

中文别名:
2-氨基-3-(1H-吲哚-3-基)-2-甲基丙酸甲酯;Tryptophan, 伪-methyl-, methyl ester;Α-甲基-DL-色氨酸甲酯;甲基-2-氨基-3-(1H-吲哚-3-基)-2-甲基丙酸酯;噻蒽-1-硼酸;甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸;甲基二氨基- 3 -(氢-吲哚-3基)- 2 -甲基羧酸;
英文别名:
Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate;α-Methyl-D,L-tryptophan Methyl Ester;ALPHA-METHYL-DL-TRYPTOPHAN METHYL ESTER;H-α-Me-DL-Trp-OMe;α-Methyl-D,L-tryptop;DL-ALPHA-METHYLTRYPTOPHAN METHYL ESTER HYDROCHLORIDE;DL-α-METHYLTRYPTOPHAN METHYL ESTER HYDROCHLORIDE;H-DL-(ME)TRP-OME;H-ALPHA-ME-DL-TRP-OME;H-a-Me-DL-Trp-OMe·HCl;H-ALPHA-ME-DL-TRP-OME HCL;ALPHA-ME-DL-TRYPTOPHAN-OME;a-Methyl-tryptophan Methyl Este;α-Methyl-tryptophan Methyl Ester;a-Methyl-tryptophan Methyl Ester;H-alpha-Me-DL-Trp-ome hydrochloride;Tryptophan, alpha-methyl-, methyl ester;AKOS015908608;A803193;HMS560H18;114524-80-0;MLS-0463316.0001;FT-0622179;2-amino-3-(1H-indol-3-yl)-2-methyl-propionic acid methyl ester;Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate, AldrichCPR;Tryptophan,a-methyl-,methyl ester;AS-31443;J-003104;alpha-Methyl-D,L-tryptophan Methyl Ester;Methyl alpha-methyltryptophanate;Maybridge1_006684;SCHEMBL2540033;CHEMBL1998719;DTXSID60963809;a-methyl- DL-tryptophan methyl ester;DL-ALPHA-METHYLTRYPTOPHANMETHYLESTERHYDROCHLORIDE;4734-08-1;RCUNGDZWHFRBBP-UHFFFAOYSA-N;alpha -Methyl-D,L-tryptophan Methyl Ester;a-Methyl-D,L-tryptophan Methyl Ester;H--Me-DL-Trp-OMe;H-2-Me-DL-Try-OMe;CS-0318777;M-5150;

标识符

MDL:
MFCD00152138
InChIKey:
RCUNGDZWHFRBBP-UHFFFAOYSA-N
Inchi:
1S/C13H16N2O2/c1-13(14,12(16)17-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,15H,7,14H2,1-2H3
SMILES:
O(C)C(C(C)(CC1=CNC2C=CC=CC1=2)N)=O

甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸(114524-80-0)物化性质

实验特性

  • LogP : 2.30110
  • PSA : 68.11000
  • 熔点 : 139-142
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定

计算特性

  • 精确分子量 : 232.12100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 232.121177757g/mol
  • 重原子数量 : 17
  • 复杂度 : 295
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 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) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 68.1Ų

甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸(114524-80-0)安全信息

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甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸(114524-80-0)上下游

甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸(114524-80-0) MSDS

基础信息

Name:Methyl 2-amino-3-(1h-indol-3-yl)-2-methylpropanoate 97% Material Safety Data Sheet
Synonym:Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropionat
CAS:114524-80-0
Section 1 - Chemical Product ? MSDS Name:Methyl 2-amino-3-(1h-indol-3-yl)-2-methylpropanoate 97% Material Safety Data Sheet
Synonym:Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropionat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
114524-80-0Methyl 2-amino-3-(1H-indol-3-yl)-2-met97%unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 114524-80-0: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 139 - 142 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: C13H16N2O2
Molecular Weight: 232

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes, ammonia.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 114524-80-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate - 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: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 114524-80-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 114524-80-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 114524-80-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A