1170-02-1

• 常用中文名：N,N'-乙基双(2-[2-羟基苯基]甘氨酸)
• 常用英文名：Ethylenediamine-N,N'-bis((2-hydroxyphenyl)acetic acid)
• CAS号：1170-02-1
• 分子式：C₁₈H₂₀N₂O₆
• 分子量：360.36100
• 相关类别： 生物化工 氨基酸及其衍生物 甘氨酸类衍生物
• 发布时间：2018-12-04 09:46:33
• 更新时间：2024-01-02 10:24:57

名称

• 中文名: N,N’-乙基双(2-[2-羟基苯基]甘氨酸)
• 英文名: 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)
• 英文别名: N,N'-ethylenebis[2-(2-hydroxyphenyl)glycine]; CHEL-138; N,N'-ethylenebis[2-(o-hydroxyphenolic)glycine]; Ethylenebisiminobis(2-hydroxyphenylacetic acid); ETHYLENEDIAMINEDI(ORTHO-HYDROXYPHENYLACETICACID); ETHYLENEDIAMINEDI(2-HYDROXYPHENYLACETICACID); EDDHA; ethylenediamine-bis(o-hydroxyphenyl)acetic acid; EDHPA; EthylenediaMine-N,N; ethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid); ethylenediamine di-o-hydroxyphenylacetic acid; EINECS 214-625-3; ETHYLENEBIS-ORTHO-HYDROXYPHENYLGLYCINE

物化性质

• 密度: 1.417 g/cm3
• 沸点: 620.3ºC at 760 mmHg
• 分子式: C₁₈H₂₀N₂O₆
• 分子量: 360.36100
• 闪点: 328.9ºC
• 精确质量: 360.13200
• PSA: 139.12000
• LogP: 2.01040
• 蒸汽压: 3.02E-16mmHg at 25°C
• 折射率: 1.651
• 储存条件: 2-8°C，避光干燥密封
• 分子结构:

  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:

  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

毒性和生态

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)

安全

• 海关编码: 2922509090

合成路线

76935-25-6 ~% 1170-02-1

文献：Journal of Organic Chemistry, , vol. 24, p. 1905

94-93-9 ~% 1170-02-1

文献：Journal of Organic Chemistry, , vol. 24, p. 1905

上下游产品

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海关

海关编码	2922509090
中文概述	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
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%