7479-05-2 (D-色氨酸乙酯盐酸盐,(S)-Ethyl 2-Amino-3-(1H-indol-3-yl)propanoate)

CAS号:
7479-05-2
中文名称:
D-色氨酸乙酯盐酸盐
英文名称:
(S)-Ethyl 2-Amino-3-(1H-indol-3-yl)propanoate
分子式:
C13H16N2O2
分子量:
232.278343200684

D-色氨酸乙酯盐酸盐(7479-05-2)名称与标识符

名称

中文别名:
D-色氨酸乙酯盐酸盐;
英文别名:
L-Tryptophan ethyl ester;D-TRYPTOPHAN ETHYL ESTER HYDROCHLORIDE;Ethyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride;ethyl ester of L-tryptophan;ethyl L-tryptophanate;L-Tryptophan ethyl;L-tryptophan methyl ester;L-tryptophane ethyl ester;67645-67-4;5G6PMN8WB4;NS00047427;Tryptophan, ethyl ester, L-;Ethyl 2-amino-3-(1H-indol-3-yl)propanoate #;(S)-Ethyl 2-amino-3-(1H-indol-3-yl)propanoate;AKOS030213049;SCHEMBL133958;racemic tryptophan ethyl ester;7479-05-2;CHEMBL54665;DTXSID00884387;Maybridge1_006127;TRYPTOPHAN ETHYLESTER;Tryptophan ethyl ester;ethyl tryptophanate;EINECS 231-285-1;L-Tryptophan, ethyl ester;d-tryptophan ethyl ester;EN300-6511483;DL-Tryptophan, ethyl ester;ethyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;

标识符

InChIKey:
DABYEOZXRSTEGL-NSHDSACASA-N
Inchi:
1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m0/s1
SMILES:
O(CC)C([C@H](CC1=CNC2C=CC=CC1=2)N)=O

D-色氨酸乙酯盐酸盐(7479-05-2)物化性质

实验特性

  • LogP : 3.10310
  • PSA : 68.11000
  • 沸点 : 427.8ºC at 760 mmHg
  • 熔点 : 218 °C
  • 闪点 : 212.5ºC
  • 密度 : 1.211 g/cm3

计算特性

  • 精确分子量 : 268.09800
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 5
  • 同位素质量 : 232.121177757g/mol
  • 重原子数量 : 17
  • 复杂度 : 270
  • 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) : 1.9
  • 拓扑分子极性表面积 : 68.1Ų

D-色氨酸乙酯盐酸盐(7479-05-2)安全信息

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D-色氨酸乙酯盐酸盐(7479-05-2)相关文献

D-色氨酸乙酯盐酸盐(7479-05-2) MSDS

基础信息

Name:Ethyl 2-amino-3-(1h-indol-3-yl)propanoate hydrochloride 97% Material Safety Data Sheet
Synonym:L-Tryptophan ethyl ester hydrochlorid
CAS:7479-05-2
Section 1 - Chemical Product ? MSDS Name:Ethyl 2-amino-3-(1h-indol-3-yl)propanoate hydrochloride 97% Material Safety Data Sheet
Synonym:L-Tryptophan ethyl ester hydrochlorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
7479-05-2Ethyl 2-amino-3-(1H-indol-3-yl)propano97%231-285-1
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
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:
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# 7479-05-2: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 218 deg C(decom)
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: C13H17ClN2O2
Molecular Weight: 269

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Bases, strong oxidizing agents, acids.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 7479-05-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-amino-3-(1H-indol-3-yl)propanoate, hydrochloride - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 7479-05-2: No information available.
Canada
CAS# 7479-05-2 is listed on Canada's NDSL List.
CAS# 7479-05-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7479-05-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A