116295-72-8 (2,6-二氨基嘌呤半硫酸盐半水合物,2,6-Diaminopurine Hemisulfate Hydrate)

CAS号:
116295-72-8
中文名称:
2,6-二氨基嘌呤半硫酸盐半水合物
英文名称:
2,6-Diaminopurine Hemisulfate Hydrate
分子式:
C10H16N12O5S
分子量:
416.376437187195

2,6-二氨基嘌呤半硫酸盐半水合物(116295-72-8)名称与标识符

名称

中文别名:
2,6-二氨基嘌呤半硫酸盐半水合物;1H-嘌呤-2,6-二胺磺酸水合物;2,6-二氨基嘌呤 半硫酸盐 水合物;
英文别名:
2,6-Diaminopurine hemisulfate hemihydrate;1H-Purine-2,6-diamine sulfate (2:1) monohydrate;7H-purine-2,6-diamine,sulfuric acid,hydrate;2,6-Diaminopurine hemisulfate salt hydrate;Purine,2,6-diamino-,sulfate,hydrate;2,6-Diaminopurine hemisulfate hydrate;Sulfuric acid--7H-purine-2,6-diamine--water (1/2/1);7H-purine-2,6-diamine;sulfuric acid;hydrate;AKOS015899527;116295-72-8;DTXSID50333698;1H-Purine-2,6-diamine sulfate (2;Purine, 2,6-diamino-, sulfate, hydrate;

标识符

InChIKey:
QHCSVCLBFWLFTE-UHFFFAOYSA-N
Inchi:
1S/2C5H6N6.H2O4S.H2O/c2*6-3-2-4(9-1-8-2)11-5(7)10-3;1-5(2,3)4;/h2*1H,(H5,6,7,8,9,10,11);(H2,1,2,3,4);1H2
SMILES:
S(=O)(=O)(O)O.O.N1C=NC2=C1C(N)=NC(N)=N2.N1C=NC2=C1C(N)=NC(N)=N2

2,6-二氨基嘌呤半硫酸盐半水合物(116295-72-8)物化性质

实验特性

  • LogP : 1.04340
  • PSA : 198.71000

计算特性

  • 精确分子量 : 266.04300
  • 氢键供体数量 : 9
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 0
  • 同位素质量 : 416.10873283g/mol
  • 重原子数量 : 28
  • 复杂度 : 231
  • 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 : 4
  • 拓扑分子极性表面积 : 297Ų

2,6-二氨基嘌呤半硫酸盐半水合物(116295-72-8)推荐厂家 更多厂家(1)

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2,6-二氨基嘌呤半硫酸盐半水合物(116295-72-8) MSDS

基础信息

Name:2 6-Diaminopurine sulfate hydrate Material Safety Data Sheet
Synonym:
CAS:116295-72-8
Section 1 - Chemical Product ? MSDS Name:2 6-Diaminopurine sulfate hydrate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
116295-72-82,6-Diaminopurine sulfate hydrateunlisted
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# 116295-72-8: 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: Not available.
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: C5H6N6.1/2H2SO4.1/2H2O
Molecular Weight: 208.19

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 116295-72-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,6-Diaminopurine sulfate hydrate - 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# 116295-72-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 116295-72-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 116295-72-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A