73477-53-9 (胍戊二酸,(2S)-2-(Diaminomethylideneamino)pentanedioic Acid)

CAS号:
73477-53-9
中文名称:
胍戊二酸
英文名称:
(2S)-2-(Diaminomethylideneamino)pentanedioic Acid
分子式:
C6H11N3O4
分子量:
189.169241189957

胍戊二酸(73477-53-9)名称与标识符

名称

中文别名:
(S)-(-)-2-胍基戊二酸;(S)-(-)-2-Guanidinoglutaric Acid (S)-(-)-2-胍基戊二酸;(S)-2-胍基戊二酸;
英文别名:
L-Glutamic acid,N-(aminoiminomethyl)-;(S)-(-)-2-Guanidinoglutaric Acid;α-GUANIDINOGLUTARIC ACID;2-Guanidinopentanedioic acid;alpha-guanidinoglutaric acid;Guanidinoglutaric acid;alpha-Guanidinoglutaric;(2S)-2-(diaminomethylideneamino)pentanedioic acid;1608AH;2-CARBAMIMIDAMIDOPENTANEDIOIC ACID;2-(diaminomethylideneamino)pentanedioic acid;Pentanedioic acid, ((aminoiminomethyl)amino)-;Pentanedioic acid,[(aminoiminomethyl)amino]- (9CI);RHVVRMJOHATSPD-VKHMYHEASA-N;AC1Q5VEZ;NCGC00093929-03;NCGC00093929-02;73477-53-9;C03140;2-N-amidinoglutamic acid;N-Amidino-L-glutamate;HY-130325;G0265;MFCD00671536;NGQ;N-(Aminoiminomethyl)-L-glutamic acid;LP00540;SDCCGSBI-0050523.P002;NCGC00093929-01;SR-01000075898-5;DTXSID40994232;Tox21_500540;Q27107460;carbamimidoyl-L-glutamic acid;SR-01000075898;CHEMBL1256283;CS-0107285;CCG-204630;n-carbamimidoyl-l-glutamic acid;N-Carbamimidoylglutamic acid;alpha -Guanidinoglutaric acid;SCHEMBL910175;N-Guanidino-L-Glutamate;EU-0100540;HMS3649I16;SR-01000075898-1;.alpha.-Guanidinoglutaric Acid;Lopac0_000540;AKOS015853634;G 7788;(2S)-2-guanidinopentanedioic acid;CHEBI:7246;NCGC00261225-01;HMS3261L21;

标识符

MDL:
MFCD00671536
InChIKey:
RHVVRMJOHATSPD-VKHMYHEASA-N
Inchi:
1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1
SMILES:
OC([C@H](CCC(=O)O)/N=C(\N)/N)=O

胍戊二酸(73477-53-9)物化性质

实验特性

  • LogP : -0.02160
  • PSA : 136.50000
  • 折射率 : -20 ° (C=4, 2mol/L HCl)
  • 颜色与性状 : 白色结晶性固体。
  • 溶解性 : 未确定。

计算特性

  • 精确分子量 : 189.07500
  • 氢键供体数量 : 4
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 189.07495584g/mol
  • 重原子数量 : 13
  • 复杂度 : 234
  • 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) : -1.7
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 139

胍戊二酸(73477-53-9)海关数据

海关编码:
2925290090
海关数据:

中国海关编码:

2925290090

概述:

2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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

Summary:

2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

胍戊二酸(73477-53-9)参考资料

Reaxys RN:
1727927
PubChem CID:

胍戊二酸(73477-53-9) MSDS

基础信息


Section I.Chemical Product and Company Identification
    Chemical Name (S)-(-)-2-Guanidinoglutaric Acid
    Portland OR
    Synonym        Not available.    
    Chemical Formula        C6H11N3O4    
    73477-53-9
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    (S)-(-)-2-Guanidinoglutaric Acid        73477-53-9        Min. 98.0 (T) Not available.        Not available.    

Section III. Hazards Identification
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Health Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    Auto-Ignition
    Flammability        May be combustible at high temperature.    
    Flammable Limits        Not available.    
    Flash Points        Not available.    
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    (S)-(-)-2-Guanidinoglutaric Acid

Section VI.        Accidental Release Measures    
    Spill Cleanup        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    Instructions
    disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool    
    place. Avoid excessive heat and light. Do not breathe dust.
    Information

Section VIII. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    Engineering Controls
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Solid. (White crystal)        Solubility    
    Not available.
    Not available.
    Specific Gravity
    Molecular Weight        189.17        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    Refractive Index        Not available.        Volatility        Not available.    
    Not available.        Not available.    
    Critical Temperature        Odor    
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with strong oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Toxic Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.    
    Continued on Next Page
    (S)-(-)-2-Guanidinoglutaric Acid

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    Not a DOT controlled material (United States).
    DOT Classification
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC)        Not available.    
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A