N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(4-(DIET

N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(4-(DIET 基本信息
CAS号 161433-30-3 分子式 C28H43N3.2Br
分子量 581.48151 精确质量  579.18237
PSA  7.12000 LogP  -0.17850

基本信息 展开↓

CAS号:
161433-30-3
分子式:
C28H43N3.2Br
分子量:
581.48151
中文名称:
N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(4-(DIET
英文名称:
Pyridinium, 4-[4-[4-(diethylamino)phenyl]-1,3-butadien-1-yl]-1-[3-(triethylammonio)propyl]-, bromide (1:2)
中文别名:
N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(4-(DIET;
N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(4-(DIETHYLAMINO)PHENYL)BUTADIENYL)PYRIDINIUM DIACETATE;
PYRIDINIUM,4-[4-[4-(DIETHYLAMINO)PHENYL]-1,3-BUTADIENYL]-1-[3-(TRIETHYLAMMONIO)PROPYL]-,DIBROMIDE;
RH 414;
NEURODYE RH-414;
N-(3-TRIETHYLAMMONIUMPROPYL)-4-(4-(4-(DIETHYLAMINO)PHENYL)
英文别名:
Pyridinium, 4-[4-[4-(diethylamino)phenyl]-1,3-butadien-1-yl]-1-[3-(triethylammonio)propyl]-, bromide (1:2);
Pyridinium, 4-[4-[4-(diethylamino)phenyl]-1,3-butadienyl]-1-[3-(triethylammonio)propyl]-, dibromide (9CI);
RH 414
精确分子量/精确质量:
579.18237
极性分子表面积/PSA:
7.12000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。

生产制备方法及用途展开↓

制备方法


化学试剂、有机中间体、精细化学品、药物研发

用途简介


用途


化学试剂、有机中间体、精细化学品、药物研发

物化性质展开↓

存储条件/存储方法:

保存方法:密闭,阴凉,干燥处

稳定性相关:

避光

其它信息:

1.      性状:红色固体

2.      密度(g/mL25 ºC,):未确定

3.      相对蒸汽密度(g/mL,空气=1)未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.6mmHg):未确定

7.      折射率:未确定

8.      闪点(ºC0.6mmHg):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

MSDS 展开↓

Name: Neurodye RH414 Material Safety Data Sheet
Synonym: RH-414
CAS: 161433-30-3
Section 1 - Chemical Product   MSDS Name:Neurodye RH414 Material Safety Data Sheet
Synonym:RH-414

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
161433-30-3 Neurodye RH414 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Light sensitive.
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# 161433-30-3: 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: red
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: Moderately Soluble.
Specific Gravity/Density:
Molecular Formula: C32H49N3O4
Molecular Weight: 539.3607

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Light.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 161433-30-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Neurodye RH414 - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 161433-30-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 161433-30-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 161433-30-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):1.1

2.氢键供体数量:3

3.氢键受体数量:5

4.可旋转化学键数量:5

5.互变异构体数量:2

6.拓扑分子极性表面积92.8

7.重原子数量:22

8.表面电荷:0

9.复杂度:365

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:1

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

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便