2-氨基-2-脱氧-D-半乳糖盐酸盐

2-氨基-2-脱氧-D-半乳糖盐酸盐 基本信息
CAS号 1772-03-8 分子式 C6H14ClNO5
分子量 215.63200 精确质量  215.05600
PSA  116.17000 LogP  -1.75270

等价的CAS号:

1772-03-8,4710-95-6,6730-09-2,14131-59-0,14131-62-5,14131-63-6,14131-65-8,14131-67-0,14257-79-5,19124-46-0,20706-90-5,91673-92-6

基本信息 展开↓

CAS号:
1772-03-8
3D弹球模型:
立即前往扯扯看
分子式:
C6H14ClNO5
分子量:
215.63200
中文名称:
2-氨基-2-脱氧-D-半乳糖盐酸盐
英文名称:
D(+)-Galactosamine hydrochloride
中文别名:
2-氨基-2-脱氧-D-半乳糖盐酸盐;
D-(+)-氨基半乳糖盐酸盐;
D-氨基半乳糖盐酸盐;
D-半乳糖胺盐酸盐;
D-(+)-半乳糖胺盐酸盐;
D-半;
软骨糖胺盐酸盐
英文别名:
D(+)-Galactosamine hydrochloride;
2-Amino-2-deoxy-D-galactopyranose hydrochloride D-Chondrosamine hydrochloride;
GALACTOSAMINE HCL,D;
2-amino-2-deoxy-D-galactopyranose hydrochloride;
2-deoxy-2-amino-D-galactose hydrochloride;
D-(+)-GalactosaMine Hydrochloride;
Galactosamine;
(2R,3R,4R,5R)-2-Amino-3,4,5,6-tetrahydroxyhexanal hydrochloride;
D-(+)-Galactosamine Hydrochloride;
GALACTOSAMINE HCL;
D-GALACTOSAMINE HCL;
D-GalactosaMine HC1;
D-GALN HCL;
CHONDROSAMINE;
Chondrosamine Hydrochloride;
2-aMino-2-deoxy-L-idose;
N-Acetylgalactosamine hydrochloride;
2-Amino-2-deoxy-D-galactopyranose hydrochloride,D-Chondrosamine hydrochloride;
D-CHONDROSAMINE HCL
精确分子量/精确质量:
215.05600
极性分子表面积/PSA:
116.17000
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:
MFCD00135830
EINECS:
217-198-1
PubChem:
24895072
InChI:
InChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5-,6+;/m1./s1

生产制备方法及用途展开↓

制备方法


抗肝病类药中间体。

用途简介


物化性质展开↓

外观与性状:
白色粉末
熔点:
182-185 °C (dec.)(lit.)
沸点:
532.5ºC at 760 mmHg
闪点:
275.8ºC
水溶解性:
SOLUBLE
折射率:
96 ° (C=1, H2O)
蒸汽压:
5.53E-10mmHg at 25°C
存储条件/存储方法:

2 ºC -8 ºC条件下密封贮藏,贮存在阴凉、干燥的地方;

避免接触湿气、水源;远离氧化剂

稳定性相关:

常压稳定;对湿气敏感;可与氧化物发生反应

其它信息:

1.       性状:白色粉末

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):183

5.       沸点(ºC,常压  ):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:96 ° (C=1, H2O)

8.       闪点(ºC):未确定

9.       比旋光度(º):96 º (589nm c=1,H2O,24 hrs)

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:对水可溶

安全信息展开↓

海关代码:
2922399090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S24/25
RTECS号:
LW5500000
危险标志:
Xi

合成路线查看所有的合成路线

  • 41847-61-4

    D-tagatopyranose

  • 1772-03-8

    2-氨基-2-脱氧-D-半乳糖盐酸盐

  • 887472-18-6

    887472-18-6

  • 1772-03-8

    2-氨基-2-脱氧-D-半乳糖盐酸盐

化学图谱

  1. D-(+)-色胺盐酸盐核磁图(1HNMR)

  2. D-(+)-色胺盐酸盐核磁图(13CNMR)

  3. D-(+)-色胺盐酸盐红外图谱(IR1)

  4. D-(+)-色胺盐酸盐红外图谱(IR2)

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毒理性展开↓

毒理学数据:

1   急性毒性:大鼠经腹腔LD502660mg/kg

2   慢性毒性/致癌性

大鼠试验:大鼠腹腔TDLo135mg/kg

3   致突变性

大鼠试验:微生物突变测试系统,21500μg/kg

生态数据:

对水是稍微危害的

不要让未稀释或大量的产品接触地下水、水道和污水系统

    若无政府许可,勿将物料排入周围环境

MSDS 展开↓

Name: d-(+)-Galactosamine Hydrochloride 99% Material Safety Data Sheet
Synonym: Chondrosamine hydrochloride; 2-Amino-2-deoxy-D-galactose hydrochlorid
CAS: 1772-03-8
Section 1 - Chemical Product   MSDS Name:d-(+)-Galactosamine Hydrochloride 99% Material Safety Data Sheet
Synonym:Chondrosamine hydrochloride; 2-Amino-2-deoxy-D-galactose hydrochlorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1772-03-8 D-(+)-Galactosamine hydrochloride 99 217-198-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
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:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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 flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1772-03-8: 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 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: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 178 - 190 deg C (dec.)
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 190 deg C
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula: C6H13NO5.HCl
Molecular Weight: 215.64

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, chloride fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1772-03-8: LW5500000 LD50/LC50:
Not available.
Carcinogenicity:
D-(+)-Galactosamine hydrochloride - 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
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.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 1772-03-8: No information available.
Canada
CAS# 1772-03-8 is listed on Canada's NDSL List.
CAS# 1772-03-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1772-03-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922399090

概述:
2922399090 其他氨基醛、氨基酮及其盐(包括氨基醌及其盐,但含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 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:
2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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、   氢键供体数量:6

3、   氢键受体数量:6

4、   可旋转化学键数量:1

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):116

7、   重原子数量:13

8、   表面电荷:0

9、   复杂度:155

10、同位素原子数量: 0

11、确定原子立构中心数量:4

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:2

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