13574-84-0 (Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐,5-Benzyl N-(tert-butoxycarbonyl)-L-2-aminoglutarate, compound withN-dicyclohexylamine (1:1))

快速询单

结构式：

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐MOL文件

CAS号：

13574-84-0

中文名称：

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐

英文名称：

5-Benzyl N-(tert-butoxycarbonyl)-L-2-aminoglutarate, compound withN-dicyclohexylamine (1:1)

分子式：

C₂₉H₄₆N₂O₆

分子量：

518.685348987579

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐(13574-84-0)名称与标识符

名称

中文别名：

2-硝基-4,5,6,7-四氢吡唑并[1,5-a]吡嗪;2-异丁吲哚丁醇;Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐;N-叔丁氧羰基-L-谷氨酸 5-苄酯二环己胺盐;BOC-L-谷氨酸-5-苄脂二环己胺盐;BOC-L-谷氨酸-5-苄酯二环己基铵盐;BOC-GLU(OBZL)-OH 二环己基铵盐;叔丁氧羰基-L-谷氨酸-5-苄酯(二环己胺)盐;

英文别名：

5-Benzyl N-(tert-butoxycarbonyl)-L-2-aminoglutarate, compound withN-dicyclohexylamine (1:1);Boc-Glu-OBzl-OH.DCHA;BOC-L-Glutamic acid 5-benzylester dicyclohexylamine salt;FMOC-L-GLUTAMIC ACID G-BENZYL ESTER DICYCLOHEXYLAMMONIUM SALT;N-cyclohexylcyclohexanamine,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid;Boc-Asp-NH2;Boc-Bzl-Glu dicyclohexylammonium salt;Boc-Glu(OBn)-OH*DCHA;Boc-Glu(OBzl)*DCHA;Boc-Glu(OBzl)*dicyclohexylamine salt;BOC-GLU(OBZL)-OH DCHA;Boc-Glu(OBzl)-OH*DCHA;Boc-isoAsn-OH;Boc-L-aspartic acid 1-amide;Boc-L-Glu(OBzl)-OH*DCHA;Boc-L-isoasparagine;tert.-Butyloxycarbonyl-L-isoasparagin;Boc-Glu(OBzl)-OH (dicyclohexylammonium) salt;Boc-glu(obzl)-ohfromaminoacid;boc-glu(obzl)-oh dicyclohexylamine salt;BOC-L-GLUTAMIC ACID 5-BENZYL ESTER DCHA;BOC-L-GLUTAMIC ACID 5-BENZYL ESTER D&;N(tert-butoxycarbonyl)glutamic acid benzyl ester dicyclohe;Na-t-glutamic Acid γ-Benzyl Estr Dicyclochexylamine Salt;FMOC-L-GLUTAMIC ACID GAMMA-BENZYL ESTER DICYCLOHEXYLAMMONIUM SALT;Boc-Glu(OBzl)-OH (dicyclohexylammonium) salt;BOC-L-GLUTAMIC ACID 5-BENZYL ESTER DICYCLOHEXYLAMINE SALT;AKOS027251524;(2S)-5-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid; N-cyclohexylcyclohexanamine;Dicyclohexylamine (S)-5-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-5-oxopentanoate;FD21515;J-006768;AS-49104;5-Benzyl N-(tert-butoxycarbonyl)-L-2-aminoglutarate,compound withn-dicyclohexylamine(1:1);Boc-Glu(OBzl)-OH dicyclohexylammonium salt;N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid;13574-84-0;Dicyclohexylamine(S)-5-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-5-oxopentanoate;

标识符

InChIKey：

PLGYLOMCRIZGSY-ZOWNYOTGSA-N

Inchi：

1S/C17H23NO6.C12H23N/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21);11-13H,1-10H2/t13-;/m0./s1

SMILES：

O(C(N[C@H](C(=O)O)CCC(=O)OCC1C=CC=CC=1)=O)C(C)(C)C.N(C1CCCCC1)C1CCCCC1

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐(13574-84-0)物化性质

实验特性

LogP : 6.51110
PSA : 113.96000
折射率 : 1.523
沸点 : 522.6°Cat760mmHg
熔点 : 140-142 ºC
闪点 : 269.9°C
颜色与性状 : 白色粉末
溶解性 : 未确定
密度 : 1.197

计算特性

精确分子量 : 518.33600
氢键供体数量 : 3
氢键受体数量 : 7
可旋转化学键数量 : 12
同位素质量 : 337.152537
重原子数量 : 37
复杂度 : 553
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 : 2
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 102

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐(13574-84-0)安全信息

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐(13574-84-0)国际标准相关数据

EINECS：

237-008-0

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐(13574-84-0)海关数据

海关编码：

2924299090

海关数据：

中国海关编码：

2924299090

概述：

2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 包装

Summary：

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐(13574-84-0)上下游

L-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2,5-dioxo-1-pyrrolidinyl)5-(phenylmethyl) ester 苯甲醇二环己胺 l-谷氨酸苄酯 Boc-Glu(OBn)-ONbn L-谷氨酸

Na-叔丁氧羰基-L-谷氨酸γ-苄酯二环乙胺盐(13574-84-0) MSDS

基础信息

Name:	BOC-L-Glutamic Acid-5-Benzylester DCHA 99.5+% Material Safety Data Sheet
Synonym:	None known
CAS:	13574-84-0

Section 1 - Chemical Product ? MSDS Name:BOC-L-Glutamic Acid-5-Benzylester DCHA 99.5+% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13574-84-0	BOC-L-Glutamic Acid-5-Benzylester DCHA	99.5+	237-008-0

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:
May cause eye irritation.
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.
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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

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# 13574-84-0: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 141.00 - 143.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C17H23NO6.C12H23N
Molecular Weight: 518.69

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
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# 13574-84-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
BOC-L-Glutamic Acid-5-Benzylester DCHA - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 13574-84-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13574-84-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13574-84-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A