(±)-毒藜碱

(±)-毒藜碱 基本信息
CAS号 13078-04-1 分子式 C10H14N2
分子量 162.23200 精确质量  162.11600
PSA  24.92000 LogP  2.22500

等价的CAS号:

494-52-0,13078-04-1,34366-21-7,40774-73-0

基本信息 展开↓

CAS号:
13078-04-1
3D弹球模型:
立即前往扯扯看
分子式:
C10H14N2
分子量:
162.23200
中文名称:
(±)-毒藜碱
英文名称:
anabasine
中文别名:
(±)-毒藜碱;
DL-八角枫碱
英文别名:
anabasine;
3-Piperidin-2-ylpyridine;
3-(Piperidin-2-yl)pyridine
精确分子量/精确质量:
162.11600
极性分子表面积/PSA:
24.92000
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。
贝尔斯坦号/MDL:
MFCD00006370
EINECS:
207-791-3
PubChem:
24891007
BRN:
82639
InChI:
The Key: MTXSIJUGVMTTMU-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
无色油状
密度:
1.046
熔点:
9ºC
沸点:
270-272ºC
闪点:
93ºC
折射率:
1.544
蒸汽压:
0.00662mmHg at 25°C
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 氧化物

其它信息:

1.       性状:浅色至黄色液体。

2.       密度(g/mL,25):1.05

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):9

5.       沸点(ºC,常压):270

6.       沸点(ºC10mmHg):未确定

7.       折射率:1.5440

8.       闪点(ºC):93

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(20ºC):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:溶于水,10mg/mL

安全信息展开↓

风险类别:
6.1
海关代码:
2933990090
危险类别码:
R23/24/25
安全说明:
S28-S36/37/39-S45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
危险标志:
T:Toxic;

合成路线查看所有的合成路线

  • 154874-91-6

    1-哌啶羧酸, 2-(3-吡啶基)-, 1,1-二甲基乙基酯

  • ~97%

  • 13078-04-1

    (±)-毒藜碱

  • 3471-05-4

    假木贼碱

  • ~96%

  • 13078-04-1

    (±)-毒藜碱

  • 1257863-79-8

    benzyl 2-(pyridin-3-yl)-3,4-dihydropyridine-1(2H)-carboxylate

  • ~85%

  • 13078-04-1

    (±)-毒藜碱

毒理性展开↓

生态数据:

对水体是极其有害的,即使小量产品也不能接触地下水,水道或污水系统, 若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: 2-Pyridin-3-ylpiperidine tech Material Safety Data Sheet
Synonym: AnabasineNeonicotin
CAS: 13078-04-1
Section 1 - Chemical Product   MSDS Name:2-Pyridin-3-ylpiperidine tech Material Safety Data Sheet
Synonym:AnabasineNeonicotin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13078-04-1 2-Pyridin-3-ylpiperidine unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Hygroscopic (absorbs moisture from the air).Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Toxic in contact with skin.
Ingestion:
May cause irritation of the digestive tract. Toxic if swallowed.
Inhalation:
May cause respiratory tract irritation. Toxic if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Keep away from sources of ignition. Store in a cool, dry place. Do not store in direct sunlight. 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# 13078-04-1: 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: Liquid
Color: colorless - yellow - orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 270 - 272 deg C
Freezing/Melting Point: 9 deg C
Autoignition Temperature: Not available.
Flash Point: 93 deg C ( 199.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density: 1.046
Molecular Formula: C10H14N2
Molecular Weight: 162

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, light, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 13078-04-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Pyridin-3-ylpiperidine - 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
Shipping Name: ALKALOIDS, LIQUID, N.O.S.*
Hazard Class: 6.1
UN Number: 3140
Packing Group: II
IMO
Shipping Name: ALKALOIDS, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 3140
Packing Group: II
RID/ADR
Shipping Name: ALKALOIDS, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 3140
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 13078-04-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13078-04-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13078-04-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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展开↓

分子结构数据


1、   摩尔折射率:48.94

2、   摩尔体积(m3/mol):159.8

3、   等张比容(90.2K):400.5

4、   表面张力(dyne/cm):39.5

5、   极化率10-24cm3):19.40

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积24.9

7.重原子数量:12

8.表面电荷:0

9.复杂度:136

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

上下游相关产品

上游产品

更多
  • 2743-90-0

    新烟草碱(去氢新烟碱)

  • 62332-19-8

    N-[2-(pyridin-3-yl)piperidin-1-yl]benzamide

  • 154874-91-6

    1-哌啶羧酸, 2-(3-吡啶基)-, 1,1-二甲基乙基酯

  • 1257863-79-8

    benzyl 2-(pyridin-3-yl)-3,4-dihydropyridine-1(2H)-carboxylate

  • 3471-05-4

    假木贼碱

下游产品

更多
  • 37620-20-5

    N-亚硝基新烟草碱

  • 494-52-0

    新烟碱

  • 139722-88-6

    3-[1-di(propan-2-yloxy)phosphorylpiperidin-2-yl]pyridine

  • 154874-91-6

    1-哌啶羧酸, 2-(3-吡啶基)-, 1,1-二甲基乙基酯

  • 6944-24-7

    phenyl-(2-pyridin-3-ylpiperidin-1-yl)methanone

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便