6632-68-4

• 常用中文名：1,3-二甲基-6-亚氨基-5-异亚硝基尿嘧啶
• 常用英文名：6-amino-1,3-dimethyl-5-nitrosouracil
• CAS号：6632-68-4
• 分子式：C₆H₈N₄O₃
• 分子量：184.15300
• 相关类别： 生物化工 核苷类药物 核苷酸及其类似物
• 发布时间：2018-10-10 16:06:35
• 更新时间：2026-07-01 13:44:47
• 茶碱、咖啡因的中间体。亦用作铜的光度测定试剂。

名称

• 中文名: 1,3-二甲基-6-亚氨基-5-异亚硝基尿嘧啶
• 英文名: 4-Amino-1,3-dimethyl-5-nitrosouracil,6-Amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
• 中文别名: 6-氨基-1,3-二甲基-5-亚硝基嘧啶-2,4(1H,3H)-二酮; 6-氨基-1,3-二甲基-5-硝基嘧啶-2,4(1H,3H)-二酮; 6-氨基-1,3-二甲基-5-亚硝基嘧啶-2,4-二酮; 多索可可碱杂质17; 6-亚氨基-1,3-二甲基二氢-2,4,5(3H)-嘧啶三酮5-肟; 4-氨基-1,3-二甲基-2,6-二氧-5-亚硝基嘧啶; 2,4-(1H,3H)嘧啶二酮,6-氨基-1,3-二甲基-5-亚硝基; 6-氨基-1,3-二甲基-5-异亚硝基尿嘧啶; 1,3-二甲基-6-氨基-5-亚硝基尿嘧啶; 二甲基紫脲酸; 6-亚氨基-1,3-二甲基-5-异亚硝基尿嘧啶; 2,4(1H,3H)-嘧啶二酮,6-氨基-1,3-二甲基-5-亚硝基; 1.3二甲基5-亚硝基6-氨基脲嘧啶; N,N’-二甲基-4-亚氨基紫尿酸; 1,3-二甲基-6-亚氨基-5-异亚硝基尿嘧啶(二甲基紫脲酸); 尿嘧啶,6; 4-氨基-1,3-二甲基-2,6-二氧基-5-亚硝基嘧啶; 尿嘧啶杂质6; 二甲基紫尿酸; 6-氨基-1,3-二甲基-5-亚硝基尿嘧啶; 二甲基紫尿; 氨茶碱杂质J; 尿嘧啶杂质8; 6-氨基-1,3-二甲基-5-亚硝基-嘧啶-2,4-二酮; 多索茶碱29; 4-氨基-1,3-二甲基-5-亚硝基尿嘧啶; 1,3-二甲基-4-亚氨基-5-异亚硝基尿嘧啶
• 英文别名: 6-Imino-1,3-dimethyldihydro-2,4,5(3H)-pyrimidinetrione 5-oxime; 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso; 4-AMINO-1,3-DIMETHYL-2,6-DIOXY-5-NITROSOPYRIMIDINE; 4-AMINO-1,3-DIMETHYL-2,6-DIHYDROXY-5-NITROSOPYRIMIDINE; 6-AMINO-1,3-DIMETHYL-5-NITROSOURACIL //BP; N,N’-Dimethyl-4-imidoviouricacid; 3h)pyrimidinedione,6-amino-1,3-dimethyl-5-nitroso-4(1h; Uracil, 6-amino-1,3-dimethyl-5-nitroso; 6-amino-1,3-dimethyl-5-nitroso-uracil; 6-Amino-1,3-dimethyl-5-nitroso-1H-pyrimidine-2,4-dione; CBI-BB ZERO; 1,3-Dimethyl-6-imino-5-isonitrosouracil; 1,3-Dimethyl-6-amino-5-nitrosouracil; SPECS AF-407; WLN: T6NVNVJ A1 C1 ENO FZ; 1,3-dimethyl-4-amino-5-nitrosouracil; 4-Amino-1,3-dimethyl-5-nitrosouracil; Uracil Impurity 6; (E)-5-(hydroxyimino)-6-imino-1,3; 6-Amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione; 6-amino-1,3-dimethyl-5-nitroso-uraci; 6-Amino-1,3-dimethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione; 1,3-dimethyl-4-amino-5-nitroso-2,6-pyrimidindione; 4-AMINO-2,6-DIKETO-1,3-DIMETHYL-5-NITROSOPYRIMIDINE; 4-amino-dimethyl-dioxy-5-nitrosopyrimidin; LABOTEST-BB LT00068524; 1,3-DIMETHY-IMINO-5-ISONITROSOURACIL; Theophylline Impurity J; 6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4(1H,3H)-dione; 4-Amino-1,3-dimethyl-5-nitrosouracil x-H2O; danu; 6-amino-5-nitroso-1,3-dimethyluracil; 6-amino-1,3-dimethyl-5-nitroso-pyrimidine-2,4-quinone; Uracil Impurity; 6-Amino-5-nitroso-1,3-dimethyluracil; 6-AMINO-1,3-DIMETHYL-5-NITROSOURACIL; 6-Amino-1,3-dimethyl; 4-amino-dimethyl-dioxy-*5-nitrosopyrimidi; 2,4-(1H,3H)Pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso; 6-amino-1,3-dimethyl-5-nitrosopyrimidine 2,4(1H,3H)-dione; 3h)-pyrimidinedione,6-amino-1,3-dimethyl-5-nitroso-4(1h; 4-Amino-1,3-dimethyl-2,6-dioxo-5-nitrosopyrimidine

物化性质

• 密度: 1.408g/cm3
• 沸点: 513ºC at 760 mmHg
• 熔点: 241-243ºC
• 分子式: C₆H₈N₄O₃
• 分子量: 184.15300
• 闪点: 264ºC
• 精确质量: 184.06000
• PSA: 99.45000
• 折射率: 1.63
• 储存条件: −20°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:5

  4.可旋转化学键数量:0

  5.互变异构体数量:4

  6.拓扑分子极性表面积:96.1

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:322

  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: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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YQ8780000 CHEMICAL NAME : Uracil, 6-amino-1,3-dimethyl-5-nitroso- CAS REGISTRY NUMBER : 6632-68-4 BEILSTEIN REFERENCE NO. : 0180955 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C6-H8-N4-O3 MOLECULAR WEIGHT : 184.18 WISWESSER LINE NOTATION : T6NVNVJ A1 C1 ENO FZ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2 gm/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes REFERENCE : ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. (Berlin, Fed. Rep. Ger.) V.76-92, 1971-78. For publisher information, see JCROD7. Volume(issue)/page/year: 80,297,1973 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 16 gm/kg/34W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application REFERENCE : ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. (Berlin, Fed. Rep. Ger.) V.76-92, 1971-78. For publisher information, see JCROD7. Volume(issue)/page/year: 80,297,1973

安全

• 符号: GHS08
• 信号词: Warning
• 危害声明: H351
• 警示性声明: P281
• 个人防护装备: Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 40
• 安全声明 (欧洲): 22-36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: YQ8780000
• 海关编码: 2933599090

合成路线

6642-31-5 ~99% 6632-68-4

文献：LIFE and BRAIN GMBH; MUeLLER, Christa; ZIMMER, Andreas; LABS, Stefanie; BUCHHOLZ, Stephanie; HINZ, Sonja Patent: WO2012/76974 A1, 2012 ; Location in patent: Page/Page column 27; 29 ;

17743-04-3 ~88% 6632-68-4

文献：Shirsagar; Bhave Journal of the Indian Chemical Society, 1997 , vol. 74, # 8 p. 649 - 651

2434-53-9 ~% 6632-68-4

文献：Zhurnal Obshchei Khimii, , vol. 16, p. 179,183 Chem.Abstr., , p. 96

2469-99-0 96-31-1 ~% 6632-68-4

文献：Polyhedron, , vol. 50, # 1 p. 10 - 15

598-94-7 ~% 6632-68-4

文献：DE206453 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 9, p. 1005

6972-77-6 ~% 6632-68-4

文献：Zhurnal Obshchei Khimii, , vol. 16, p. 179,183 Chem.Abstr., , p. 96

上下游产品

上游产品  7
6642-31-5 17743-04-3 598-94-7 2434-53-9
6972-77-6 2469-99-0 96-31-1
下游产品  9
5440-00-6 25477-76-3 58-55-9 33070-47-2
34859-42-2 135396-36-0 58-08-2 70379-91-8
7464-70-2

制备

用氰乙酸与二甲基脲、乙酸酐缩合，生成1,3-二甲基氰乙酰脲，然后在碱性条件下环合，得1,3-二甲基-4-亚氨基脲嘧啶，再亚硝化制得该品。

海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%