N,N’-乙基双(2-[2-羟基苯基]甘氨酸)

N,N’-乙基双(2-[2-羟基苯基]甘氨酸) 基本信息
CAS号 1170-02-1 分子式 C18H20N2O6
分子量 360.36100 精确质量 　360.13200
PSA 　139.12000 LogP 　2.01040
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等价的CAS号：

1170-02-1,81944-53-8,81944-54-9
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
1170-02-1
3D弹球模型：
立即前往扯扯看
分子式：
C18H20N2O6
分子量：
360.36100
中文名称：
N,N’-乙基双(2-[2-羟基苯基]甘氨酸)
英文名称：
Ethylenediamine-N,N'-bis((2-hydroxyphenyl)acetic acid)
中文别名：
N,N’-乙基双(2-[2-羟基苯基]甘氨酸);
N,N'-乙基双(2-[2-羟基苯基]甘氨酸)
英文别名：
Ethylenediamine-N,N'-bis((2-hydroxyphenyl)acetic acid);
CHEL-138;
N,N'-ethylenebis[2-(o-hydroxyphenolic)glycine];
ethylenediamine di-o-hydroxyphenylacetic acid;
N,N'-ethylenebis[2-(2-hydroxyphenyl)glycine];
ETHYLENEDIAMINEDI(2-HYDROXYPHENYLACETICACID);
EDDHA;
Ethylenebisiminobis(2-hydroxyphenylacetic acid);
ETHYLENEDIAMINEDI(ORTHO-HYDROXYPHENYLACETICACID);
ethylenediamine-bis(o-hydroxyphenyl)acetic acid;
EDHPA;
ETHYLENEBIS-ORTHO-HYDROXYPHENYLGLYCINE;
EthylenediaMine-N,N;
ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)
精确分子量/精确质量：
360.13200
极性分子表面积/PSA：
139.12000
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。
EINECS：
214-625-3
InChI：
The Key: PZZHMLOHNYWKIK-UHFFFAOYSA-N

物化性质展开↓

密度：
1.417 g/cm3
沸点：
620.3ºC at 760 mmHg
闪点：
328.9ºC
折射率：
1.651
蒸汽压：
3.02E-16mmHg at 25°C

安全信息展开↓

海关代码：
2922509090

合成路线查看所有的合成路线

  • 94-93-9

    N,N'-双(亚水杨基)乙二胺

  • →

  • 1170-02-1

    N,N’-乙基双(2-[2-羟基苯基]甘氨酸)

  • 76935-25-6

    2,2'-bis-(2-hydroxy-phenyl)-2,2-ethanediyldiamino-di-acetonitrile

  • →

  • 1170-02-1

    N,N’-乙基双(2-[2-羟基苯基]甘氨酸)

化学图谱

  1. N,N'-乙基双(2-[2-羟基苯基]甘氨酸)红外图谱(IR1)

  2. N,N'-乙基双(2-[2-羟基苯基]甘氨酸)红外图谱(IR2)

  3. N,N'-乙基双(2-[2-羟基苯基]甘氨酸)质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MC0500000
CHEMICAL NAME :
Glycine, N,N'-ethylenebis(2-(o-hydroxyphenyl)-
CAS REGISTRY NUMBER :
1170-02-1
BEILSTEIN REFERENCE NO. :
2679807
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C18-H20-N2-O6
MOLECULAR WEIGHT :
360.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 29,1231,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
47 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB82-163692
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,292,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg/5D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in bladder weight Blood - other changes
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,292,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg/5D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in spleen weight Endocrine - changes in thymus weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,292,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1400 mg/kg/14D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in spleen weight Endocrine - changes in thymus weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,292,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
168 mg/kg/14D-I
TOXIC EFFECTS :
Endocrine - changes in spleen weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,292,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2448 No. of Facilities: 13 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 264 (estimated) No. of Female Employees: 13 (estimated)

海关数据查看详细

中国海关编码：2922509090

概述：
2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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
监管条件：
A.入境货物通关单B.出境货物通关单
检验检疫：
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary：
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. 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↓

分子结构数据

1、  摩尔折射率：92.90

2、  摩尔体积（cm3/mol）：254.2

3、  等张比容（90.2K）：742.0

4、  表面张力（dyne/cm）：72.5

5、  极化率（10-24cm3）：36.83

计算化学数据

1.疏水参数计算参考值（XlogP）:-2.2

2.氢键供体数量:6

3.氢键受体数量:8

4.可旋转化学键数量:9

5.互变异构体数量:5

6.拓扑分子极性表面积139

7.重原子数量:26

8.表面电荷:0

9.复杂度:433

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:2

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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