9-Acridinamine,1,2,3,4-tetrahydro-
- 中文别名:他克林
- 中文释义:9-胺-1,2,3,4-四氢盐酸氯酯;他克林
- 英文别名:tacrine;
1,2,3,4-tetrahydro-5-aminoacridine;
Tetrahydroaminoacridine;
Cognex;
1,2,3,4-tetrahydroacridin-9-amine;
Tacrine;
Tetrahydroaminacrine;
Romotal;
Tetrahydroaminocrin;
Tetrahydroaminocrine;
1,2,3,4-tetrahydro-9-acridinamine;
Tenakrin;
1,2,3,4-tetrahdyroacridin-9-amine;
1,2,3,4-tetrahydro-9-amino-acridine;
9-amino-1,2,3,4-tetrahydroacridine
- CAS No.:321-64-2
- 分子式:
C13H14N2
- 分子量:198.26
- 精确分子量:198.11600
- PSA:38.91000
- InChI:InChI=1/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
- 分子结构式:
物化性质
- 密度:
- 1.195g/cm3
- 熔点:
- 283-284ºC
- 沸点:
- 409.4ºC at 760mmHg
- 闪点:
- 230.5ºC
安全信息
- 密度:
- 1.195g/cm3
- 熔点:
- 283-284ºC
- 沸点:
- 409.4ºC at 760mmHg
- 闪点:
- 230.5ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AR9532100
- CHEMICAL NAME :
- Acridine, 1,2,3,4-tetrahydro-9-amino-
- CAS REGISTRY NUMBER :
- 321-64-2
- BEILSTEIN REFERENCE NO. :
- 0147610
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 17
- MOLECULAR FORMULA :
- C13-H14-N2
- MOLECULAR WEIGHT :
- 198.29
- WISWESSER LINE NOTATION :
- T C666 BNT&&J IZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 294 mg/kg/14W-I
- TOXIC EFFECTS :
- Liver - fatty liver degeneration Liver - liver function tests impaired Blood - changes in cell count (unspecified)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 84 mg/kg/6W-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal Liver - liver function tests impaired
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 176 mg/kg/7W-I
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting Liver - liver function tests impaired
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 70 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 34 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 39800 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 20 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 29 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 31 mg/kg
- TOXIC EFFECTS :
- Behavioral - euphoria Behavioral - antipsychotic
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 620 mg/kg/18W-C
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- Cytogenetic analysis
MUTATION DATA
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- REFERENCE :
- ACNSAX Activitas Nervosa Superior. (Avicenum, Malostranske nam. 28, Prague 1, Czechoslovakia) V.1- 1959- Volume(issue)/page/year: 26,84,1984
MSDS
Name: | 9-Amino-1 2 3 4-tetrahydroacridine hydrochloride hydrate 99+% (tlc) Material Safety Data Sheet |
Synonym: | THA; Tacrine hydrochlorid |
CAS: | 321-64-2 |
Section 1 - Chemical Product MSDS Name:9-Amino-1 2 3 4-tetrahydroacridine hydrochloride hydrate 99+% (tlc) Material Safety Data Sheet
Synonym:THA; Tacrine hydrochlorid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# | Chemical Name | content | EINECS# |
321-64-2 | 9-Amino-1,2,3,4-tetrahydroacridine hyd | 99+% | 206-291-2 |
Hazard Symbols: T
Risk Phrases: 25
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic if swallowed.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:
Harmful if swallowed.
Inhalation:
May cause respiratory tract irritation.
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.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately. 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:
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:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
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# 321-64-2: 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:
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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 283 - 284 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: soluble in water
Specific Gravity/Density:
Molecular Formula: C13H14N2.HCl.xH2O
Molecular Weight: 234.72
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 321-64-2: AR9532100 LD50/LC50:
CAS# 321-64-2: Oral, mouse: LD50 = 39800 ug/kg; Oral, rat: LD50 = 70 mg/kg.
Carcinogenicity:
9-Amino-1,2,3,4-tetrahydroacridine hydrochloride hydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
Section 15 - REGULATORY INFORMATION
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 25 Toxic if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
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# 321-64-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 321-64-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 321-64-2 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码:2933990090
- 概述:
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
- 申报要素:
- 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
- 摘要/Summary:
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):无
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:0
5.互变异构体数量:10
6.拓扑分子极性表面积:38.9
7.重原子数量:15
8.表面电荷:0
9.复杂度:229
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1