18940-21-1

• 常用中文名：3-anilino-5,5-dimethyl-2-cyclohexen-1-one
• 常用英文名：3-anilino-5,5-dimethyl-2-cyclohexen-1-one
• CAS号：18940-21-1
• 分子式：C₁₄H₁₇NO
• 分子量：215.29100
• 发布时间：2018-06-11 10:24:45
• 更新时间：2024-01-31 10:58:30

名称

• 英文名: 3-anilino-5,5-dimethylcyclohex-2-en-1-one
• 英文别名: 5,5-dimethyl-3-phenylamino-cyclohex-2-enone; 5,5-dimethyl-3-phenylaminocyclohex-2-en-1-one

物化性质

• 密度: 1.089g/cm3
• 沸点: 331.6ºC at 760 mmHg
• 分子式: C₁₄H₁₇NO
• 分子量: 215.29100
• 闪点: 123.9ºC
• 精确质量: 215.13100
• PSA: 29.10000
• LogP: 3.44450
• 蒸汽压: 0.000154mmHg at 25°C
• 折射率: 1.582

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : GW7190800 CHEMICAL NAME : 2-Cyclohexen-1-one, 5,5-dimethyl-3-(phenylamino)- CAS REGISTRY NUMBER : 18940-21-1 BEILSTEIN REFERENCE NO. : 2097764 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C14-H17-N-O MOLECULAR WEIGHT : 215.32 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 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: 36,1947,1993 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >100 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: 36,1947,1993

安全

• 海关编码: 2922399090

合成路线

126-81-8 74497-02-2 ~96% 18940-21-1

文献：Siddiqui, Zeba N.; Khan, Kulsum; Ahmed, Nayeem Catalysis Letters, 2014 , vol. 144, # 4 p. 623 - 632

873-95-0 108-90-7 ~95% 18940-21-1

文献：Edmondson, Scott D.; Mastracchio, Anthony; Parmee, Emma R. Organic Letters, 2000 , vol. 2, # 8 p. 1109 - 1112

108-86-1 873-95-0 ~68% 18940-21-1

文献：Edmondson, Scott D.; Mastracchio, Anthony; Parmee, Emma R. Organic Letters, 2000 , vol. 2, # 8 p. 1109 - 1112

126-81-8 ~% 18940-21-1

文献：Akhrem, A. A.; Lakhvich, F. A.; Pyrko, A. N. Journal of Organic Chemistry USSR (English Translation), 1983 , p. 2027 - 2033 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 11 p. 2322 - 2328

89129-64-6 74497-02-2 ~73% 18940-21-1

文献：Akhrem, A. A.; Lakhvich, F. A.; Pyrko, A. N. Journal of Organic Chemistry USSR (English Translation), 1983 , p. 2027 - 2033 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 11 p. 2322 - 2328

76159-20-1 ~% 18940-21-1 72012-84-1

文献：Moehrle, H.; Herbke, J. Pharmazie, 1980 , vol. 35, # 7 p. 389 - 393

3471-13-4 74497-02-2 ~88% 18940-21-1

文献：Edafiogho; Hinko; Chang; Moore; Mulzac; Nicholson; Scott Journal of Medicinal Chemistry, 1992 , vol. 35, # 15 p. 2798 - 2805

海关

海关编码	2922399090
中文概述	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
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%