(2R)-(-)-1,1-双(4-甲氧基苯基)-3-甲基-1,2-丁二胺

(2R)-(-)-1,1-双(4-甲氧基苯基)-3-甲基-1,2-丁二胺 基本信息
CAS号 166764-19-8 分子式 C19H26N2O2
分子量 314.42200 精确质量  314.19900
PSA  70.50000 LogP  4.29000

基本信息 展开↓

CAS号:
166764-19-8
3D弹球模型:
立即前往扯扯看
分子式:
C19H26N2O2
分子量:
314.42200
中文名称:
(2R)-(-)-1,1-双(4-甲氧基苯基)-3-甲基-1,2-丁二胺
英文名称:
(2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
中文别名:
(2R)-(-)-1,1-双(4-甲氧基苯基)-3-甲基-1,2-丁二胺;
(2R)-(-)-1,1-二(4-甲氧基苯)-3-甲基-1,2-丁烷二胺
英文别名:
(2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;
(R)-DAIPEN;
(R)-1,1-BIS(P-METHOXYPHENYL)-2-ISOPROPYLETHANE-1,2-DIAMINE;
(2R)-(-)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE;
(2R)-(+)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE;
(2R)-(+)-1,1-Bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine,min.97%(R)-DAIPEN;
(2R)-(-)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE (R)-DAIPEN;
(2R)-(+)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE, 97% (R)-DAIPEN;
(2r)-(+)-1,1-Bis(4-Methoxyphenyl)-3-Methyl-1,2-Butanediamine,Mi
精确分子量/精确质量:
314.19900
极性分子表面积/PSA:
70.50000
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。
InChI:
InChI=1/C19H26N2O2/c1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15/h5-13,18H,20-21H2,1-4H3/t18-/m1/s1

物化性质展开↓

密度:
1.077g/cm3
熔点:
78-98ºC
沸点:
477.9ºC at 760 mmHg
闪点:
251.4ºC
折射率:
1.557
蒸汽压:
2.69E-09mmHg at 25°C
其它信息:

1.      性状:未确定

2.      密度(g/mL,20):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):78-98

5.      沸点(ºC,常压):未确定

6.      沸点(ºC  28mmHg):未确定

7.      折射率:未确定

8.      闪点(ºF):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.  

安全信息展开↓

海关代码:
2922299090
危险类别码:
R36/37/38
安全说明:
26-36/37/39
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。
:

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       (2R)-(+)-1,1-Bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine, min. 97% (R)-DAIPEN    
   CAS Registry Number:       166764-19-8    
   Formula:       C19H26N2O2    
   EINECS Number:       none    
   Chemical Family:       organic amine    
   Synonym:       None    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       166764-19-8       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       No particular hazard associated with this material.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       May be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion.    
   Acute Health Affects:       May be irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
   Special Fire Fighting Procedures:
   and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a tightly sealed container. Keep away from heat and direct sunlight.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white to pale-yellow pwdr.    
   Molecular Weight:       314.43    
   Melting Point:       78-98°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       slightly soluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture-stable solid    
   Hazardous Polymerization:       none    
   Conditions to Avoid:       none    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available on this product.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed on the TSCA inventory    
   SARA (Title 313):       Not regulated by Title 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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):2.7

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积70.5

7.重原子数量:23

8.表面电荷:0

9.复杂度:321

10.同位素原子数量:0

11.确定原子立构中心数量:1

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

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