146000-39-7 (N-BOC-N,2-二甲基丙氨酸,Boc-N-Me-Aib-OH)

快速询单

结构式：

N-BOC-N,2-二甲基丙氨酸MOL文件

CAS号：

146000-39-7

中文名称：

N-BOC-N,2-二甲基丙氨酸

英文名称：

Boc-N-Me-Aib-OH

分子式：

C₁₀H₁₉NO₄

分子量：

217.26216340065

N-BOC-N,2-二甲基丙氨酸(146000-39-7)名称与标识符

名称

中文别名：

2-((叔丁氧基羰基)(甲基)氨基)-2-甲基丙酸;N-BOC-N,2-二甲基丙氨酸;N-叔丁氧羰基-N,2-二甲基丙氨酸;N-Boc-α-(甲氨基)异丁酸;Boc-N,2-二甲基丙氨酸;Boc-N-甲基-Aib;N-(叔丁氧羰基)-N-甲基-2-甲基丙氨酸;

英文别名：

Alanine,N-[(1,1-dimethylethoxy)carbonyl]-N,2-dimethyl-;Boc-N-Me-Aib-OH;2-(tert-butoxycarbonyl)-2-methylpropanoic acid;Boc-N-Me-Aminoisobutyric acid;N-BOC-N,2-Dimethylalanine;2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;BOC-N,2-DIMETHYLALANINE;BOC-N-METHYL-AMINOISOBUTYRIC ACID;N-Boc-a,a-dimethyl-Sar-OH;BOC-N-METHYL-AIB;N-Boc-N,2-dimethyl-DL-alanine;(Tert-Butoxy)Carbonyl N-Me-Aib-OH;n-boc-α-(methylamino)isobutyric acid;N-TERT-BUTOXYCARBONYL-2-DIMETHYLALANINE;N-BOC-ALPHA-(METHYLAMINO)ISOBUTYRIC ACID;N-BOC-N,2-Dimethylalanine, 98+%;AKOS005264206;2-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]-2-METHYLPROPANOIC ACID;N,2-Dimethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine;MFCD01862912;F19965;DTXSID10370483;Z1021330238;N-{[(1,1-dimethylethyl)oxy]carbonyl}-N,2-dimethylalanine;CS-0154820;AMY4316;EN300-65664;KPDLITGXUYMJEC-UHFFFAOYSA-N;146000-39-7;SCHEMBL186289;Boc-N-Me-Aib-OH, >=98.0% (HPLC);ZB1745;AS-19234;SY107426;N-(tert-butoxycarbonyl)-N,2-dimethylalanine;2-(tert-butoxycarbonyl(methyl)amino)-2-methylpropanoic acid;Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N,2-dimethyl-;2-[Boc(methyl)amino]-2-methylpropanoic Acid;2-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid;

标识符

MDL：

MFCD01862912

InChIKey：

KPDLITGXUYMJEC-UHFFFAOYSA-N

Inchi：

1S/C10H19NO4/c1-9(2,3)15-8(14)11(6)10(4,5)7(12)13/h1-6H3,(H,12,13)

SMILES：

O(C(N(C)C(C(=O)O)(C)C)=O)C(C)(C)C

N-BOC-N,2-二甲基丙氨酸(146000-39-7)物化性质

实验特性

LogP : 1.71650
PSA : 66.84000
沸点 : 306.4°Cat760mmHg
熔点 : 154-158 °C
闪点 : 139.1°C
溶解度 : 略溶 (10 g/L) (25 ºC),
颜色与性状 : 白色结晶性粉末
溶解性 : 无可用
密度 : 1.091±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 217.13100
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 216.123583
重原子数量 : 15
复杂度 : 260
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 : 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
表面电荷 : -1
拓扑分子极性表面积 : 69.7

N-BOC-N,2-二甲基丙氨酸(146000-39-7)安全信息

WGK Germany： 3
安全术语： S24/25
安全说明： S24/25
危险品运输编号： NONH for all modes of transport
储存条件：冷藏库 (+4°C)
危险类别码： R20/21/22：吸入、皮肤接触和不慎吞咽有害。

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金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单

N-BOC-N,2-二甲基丙氨酸(146000-39-7)上下游

BOC-酸酐 N,2-二甲基丙氨酸 N-Boc-2-氨基异丁酸碘甲烷

N-BOC-N,2-二甲基丙氨酸(146000-39-7)参考资料

Beilstein：

7371082

PubChem CID：

57646857

N-BOC-N,2-二甲基丙氨酸(146000-39-7) MSDS

基础信息

Name:	N-BOC-N 2-Dimethylalanine Material Safety Data Sheet
Synonym:	N-tert-Butoxycarbonyl-2-dimethylalanin
CAS:	146000-39-7

Section 1 - Chemical Product ? MSDS Name:N-BOC-N 2-Dimethylalanine Material Safety Data Sheet
Synonym:N-tert-Butoxycarbonyl-2-dimethylalanin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
146000-39-7	N-BOC-N,2-Dimethylalanine		unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 146000-39-7: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 154 - 158 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: C10H19NO4
Molecular Weight: 217.26

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 146000-39-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-BOC-N,2-Dimethylalanine - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 146000-39-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 146000-39-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 146000-39-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A