27527-05-5 (L-环己基丙氨酸,(S)-(+)-Cyclohexylalanine)

CAS号:
27527-05-5
中文名称:
L-环己基丙氨酸
英文名称:
(S)-(+)-Cyclohexylalanine
分子式:
C9H17NO2
分子量:
171.23678278923

L-环己基丙氨酸(27527-05-5)名称与标识符

名称

中文别名:
L-环己基丙氨酸;(S)-2-氨基-3-环己基羧酸;3-环己基-L-丙氨酸;H-Cha-OH [L-环己苯胺];L-环己基丙氨酸 H-Cha-OH;L-环已基丙氨酸;2-氨基-3-环己基丙酸;Β环己基丙氨酸盐酸盐;
英文别名:
(S)-2-Amino-3-cyclohexylpropanoic acid;(S)-Cyclohexylalanine;2-Amino-3-cyclohexylpropanoic acid;H-Cha-OH;(2S)-2-amino-3-cyclohexylpropanoic acid;(S)-2-Amino-3-cyclohexane-propanoic acid;(S)-3-Cyclohexylalanine;(S)-CYCLOBENZYLALANINE;L-CHA-OH;L-Cyclohexylalanine;(S)-(+)-Cyclohexylalanine;(S)-2-amino-3-cyclohexanepropanoic acid;(S)-2-Amino-3-cyclohexylpropionic acid;3-Cyclohexyl-L-alanine;L-3-Cyclohexylalanine;BETA-CYCLOHEXYL-ALANINE;beta-cyclohexyl-l-alanine;L-beta-Cyclohexylalanine;GYR4SF0FVQ;2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID;Cyclohexanepropanoic acid, alpha-amino-, (alphaS)-;3-cyclohexylalanine;b-cyclohexyl alanine;beta-cyclohexylalanine;PubChem5760;beta-cyclohexyl ala;(S)-2-Amino-3-cyclohexyl-propionic acid;Z995228320;UNII-GYR4SF0FVQ;DTXSID60351883;CS-W002450;CYCLOHEXANEPROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.S)-;A819103;NS00070549;(S)-alpha-Aminocyclohexanepropionic acid;Q27093850;SCHEMBL123134;27527-05-5;3-Cyclohexylalanine, L-;EN300-102569;BDBM50179725;DB02884;MFCD00153484;.BETA.-CYCLOHEXYL-L-ALANINE;AS-18258;(S)-(+)- aring -Aminocyclohexanepropionic acid;CHEMBL383208;beta-cyclohexyl alanine;HMS1531D06;(S)-2-amino-3-cyclohexylpropanoicacid;ORQXBVXKBGUSBA-QMMMGPOBSA-N;Maybridge4_003592;AKOS012010911;J-502485;AC-25312;HY-W002450;

标识符

MDL:
MFCD00153484
InChIKey:
ORQXBVXKBGUSBA-QMMMGPOBSA-N
Inchi:
1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
SMILES:
OC([C@H](CC1CCCCC1)N)=O

L-环己基丙氨酸(27527-05-5)物化性质

实验特性

  • LogP : 2.06900
  • PSA : 63.32000
  • 折射率 : 1.489
  • 沸点 : 307.1°Cat760mmHg
  • 熔点 : 322 °C
  • 闪点 : 139.6°C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.075

计算特性

  • 精确分子量 : 171.12600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 171.125928785g/mol
  • 重原子数量 : 12
  • 复杂度 : 153
  • 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) : -0.3
  • 拓扑分子极性表面积 : 63.3

L-环己基丙氨酸(27527-05-5)海关数据

海关编码:
2922499990
海关数据:

中国海关编码:

2922499990

概述:

2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

P.进境动植物、动植物产品检疫
Q.出境动植物、动植物产品检疫
R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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L-环己基丙氨酸(27527-05-5) MSDS

基础信息

Name:2-Amino-3-cyclohexylpropanoic acid tech Material Safety Data Sheet
Synonym:(S)-Cyclohexylalanin
CAS:27527-05-5
Section 1 - Chemical Product ? MSDS Name:2-Amino-3-cyclohexylpropanoic acid tech Material Safety Data Sheet
Synonym:(S)-Cyclohexylalanin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
27527-05-52-Amino-3-cyclohexylpropanoic acidunlisted
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# 27527-05-5: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 322 - 328 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: C9H17NO2
Molecular Weight: 171

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 27527-05-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-3-cyclohexylpropanoic 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
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# 27527-05-5: 0
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27527-05-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27527-05-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A