6-Amino-1,3-dimethyluracil 1,3-二甲基-6-氨基脲嘧啶

CAS 6642-31-5 MFCD00006552

化学结构图

6642-31-5
SMILES: Cn1c(N)cc(=O)n(C)c1=O

化学属性

Mol. FormulaC6H9N3O2
Mol. Weight155.15
Melting Point295°C
Boiling Point243.1±43.0 °C at 760 mmHg

别名和识别编码

Chemical Name6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Synonym 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 6-amino-1,3-dimethyl uracil 6-amino-1,3-dimethyluracil {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Amino-1,3-dimethylpyrimidine-2,4(1
MDL NumberMFCD00006552
CAS Number6642-31-5
PubChem Substance ID81152
EC Number229-662-0
Alfabeta NameAMINODIMETHYLTETRAHYDROPYRIMIDINEDIONE 613123424-------,,,,,
Reaxys-RN144390
Beilstein Registry Number144390
Chemical Name Translation1,3-二甲基-6-氨基脲嘧啶
InChIKeyVFGRNTYELNYSKJ-UHFFFAOYSA-N
Wiswesser Line NotationT6NVNVJ A1 C1 EZ
InChIInChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
LabNetwork Molecule IDLN00180125
Canonical SMILESCN(C1=O)C(N)=CC(N1C)=O
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; urea; amide; lactame; 1fragment
  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany1
RTECSYQ8755000
Hazard Codes Xn
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Warnings IRRITANT
Signal word
Hazard statements
  • H302+H312+H332
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P304+P340+P312
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P302+P350
  • P305+P351+P335
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04375

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella
   Postale 227, 27100 Pavia, Italy)  V.44-   1989-  Volume(issue)/page/year:
   45,223,1990

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:乙酐 --> 1,3-二甲基脲 --> 二甲基氰乙酰脲
  • 方法一:以氰乙酸与二甲基脲在乙酸酐参与下加热缩合，生成二甲基氰乙酰脲，然后在碱性条件下环合制得该品。
  • 用途一:用作医药中间体
  • TCI Shanghai:6-氨基-1,3-二甲基尿嘧啶 6-Amino-1,3-dimethyluracil,>;98.0%(T)(6642-31-5)
  • 图谱信息:1,3-二甲基-6-氨基脲嘧啶(6642-31-5)核磁图( 13 CNMR) 1,3-二甲基-6-氨基脲嘧啶(6642-31-5)质谱(MS) 1,3-二甲基-6-氨基脲嘧啶(6642-31-5)红外图谱(IR1) 1,3-二甲基-6-氨基脲嘧啶(6642-31-5)核磁图( 1 HNMR)
  • 1,3-二甲基-6-氨基脲嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1420 6-氨基-1,3-二甲基尿嘧啶 6-Amino-1,3-dimethyluracil 500G 2960元 2014/06/02 A1420 6-氨基-1,3-二甲基尿嘧啶 6-Amino-1,3-dimethyluracil 25G 306元
  • 用途二:咖啡因的中间体。
  • Acros Organics:6-amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione(6642-31-5)
  • Sigma Aldrich:6642-31-5(sigmaaldrich)
  • MOL 文件:6642-31-5.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  5. C6 to C8 - Pyrimidines

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