10148-71-7 ((2S,3R)-( )-2-氨基-3-羟基-4-甲基戊酸,(2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoicacid)

CAS号:
10148-71-7
中文名称:
(2S,3R)-( )-2-氨基-3-羟基-4-甲基戊酸
英文名称:
(2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoicacid
分子式:
C6H13NO3
分子量:
147.172322034836

(2S,3R)-( )-2-氨基-3-羟基-4-甲基戊酸(10148-71-7)名称与标识符

名称

中文别名:
(2S,3R)-( )-2-氨基-3-羟基-4-甲基戊酸;L( )-苏-3-羟基亮氨酸;(2S,3R)-(+)-2-氨基-3-羟基-4-甲基戊酸;N-[2-二(1-金刚烷)磷苯基]吗啉;L(+)-苏-3-羟基亮氨酸;L-苏-羟基亮氨酸;
英文别名:
(2S,3R)-2-Amino-3-hydroxy-4-methylpentanoic acid;L(+)-threo-3-Hydroxyleucine;(2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid;(2S,3R)-3-Hydroxyleucine;(2S,3R)-β-Hydroxyleucine;(2S,3R)-2-azaniumyl-3-hydroxy-4-methylpentanoate;NSC 524546;3-Hydroxy-L-Leucine;L-THREO-HYDROXYLEUCINE;(3R)-3-Hydroxy-L-leucine;THREO-3-HYDROXY-L-LEUCINE;L-erythro β-Hydroxyleucine;3S)-2-AMino-3-Methoxybutanoic acid;(2S,3R)-2-Amino-3-hydroxy-4-methyl-pentanoic acid;SCHEMBL2032146;A897147;10148-71-7;AKOS015841478;(2s,3r)-beta-hydroxyleucine;Q27461121;AS-59491;(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name);(2S,3R)-beta-Hydroxyleucine Hydrochloride;L-Leucine, 3-hydroxy-, (3R)-;(2S,3R)-2-amino-3-hydroxy-4-methylpentanoicacid;ZAYJDMWJYCTABM-CRCLSJGQSA-N;(2S*,3R*)-2-amino-3-hydroxy-4-methyl-pentanoic acid;AKOS006342683;MFCD00142983;beta-Hydroxyleucine;AM84304;1598376-94-3;threo-3-Hydroxy-L-leucine Hydrochloride; (2S,3R)-2-Amino-3-hydroxy-4-methylpentanoic acid Hydrochloride; L-threo-beta-Hydroxyleucine Hydrochloride; (3R)-3-Hydroxy-L-leucine Hydrochloride; NSC 524546 Hydrochloride;

标识符

MDL:
MFCD00142983
InChIKey:
ZAYJDMWJYCTABM-CRCLSJGQSA-N
Inchi:
1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m0/s1
SMILES:
O[C@@H]([C@@H](C(=O)O)N)C(C)C

(2S,3R)-( )-2-氨基-3-羟基-4-甲基戊酸(10148-71-7)物化性质

实验特性

  • LogP : 0.11550
  • PSA : 83.55000
  • 折射率 : 1.4240 (estimate)
  • 沸点 : 267.28°C (rough estimate)
  • 熔点 : 225-227 ºC
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 比旋光度 : 18.5 º (c=1, 6N HCl 25 ºC)
  • 密度 : 1.2006 (rough estimate)

计算特性

  • 精确分子量 : 147.09000
  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 147.08954328g/mol
  • 重原子数量 : 10
  • 复杂度 : 124
  • 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 : 2
  • 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 : 0
  • 拓扑分子极性表面积 : 83.6

(2S,3R)-( )-2-氨基-3-羟基-4-甲基戊酸(10148-71-7)安全信息

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(2S,3R)-( )-2-氨基-3-羟基-4-甲基戊酸(10148-71-7) MSDS

基础信息

Name:(2S 3R)-2-Amino-3-Hydroxy-4-Methylpentanoic Acid 99+% e.e. Material Safety Data Sheet
Synonym:L(+)-Threo-Hydroxyleucine
CAS:10148-71-7
Section 1 - Chemical Product ? MSDS Name:(2S 3R)-2-Amino-3-Hydroxy-4-Methylpentanoic Acid 99+% e.e. Material Safety Data Sheet
Synonym:L(+)-Threo-Hydroxyleucine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
10148-71-7(2S,3R)-2-Amino-3-Hydroxy-4-Methylpent99+%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:
Non-irritating to the eyes. May cause eye irritation.
Skin:
Non-irritating to the 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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 10148-71-7: 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: Needles
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 225 deg C dec
Autoignition Temperature: Not applicable.
Flash Point: 225 deg C ( 437.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 225 deg C
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula: C6H13NO3
Molecular Weight: 147.17

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 10148-71-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(2S,3R)-2-Amino-3-Hydroxy-4-Methylpentanoic Acid - 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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 10148-71-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 10148-71-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10148-71-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A