1-Adamantylamine 1-金刚烷胺

CAS 768-94-5 MFCD00074732

化学结构图

768-94-5
SMILES: NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3

化学属性

Mol. FormulaC10H17N
Mol. Weight151.25
Melting Point206-208°C
TSCANo
Appearance 白色结晶性粉末,无臭、味苦。本品在水或乙醇中易溶,在氯仿中溶解。熔点180-192℃(升华)。
Danger-Level甲类
Boiling Point263.29 °C at 760 mmHg

别名和识别编码

Chemical Name1-Adamantylamine
Synonym Amantadine {LY} Amantadine {} {LY} Amantadine {} {} {LY} Amantadine {} {} {} {LY} Amantadine {} {} {} {} {LY} Amantadine {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Amantadine {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00074732
CAS Number768-94-5
PubChem Substance ID253659987
EC Number212-201-2
Beilstein Registry Number2204333
Chemical Name Translation1-金刚烷胺
Reaxys-RN2204333
Merck Number374
Wiswesser Line NotationL66 B6 A B- C 1B ITJ BZ
LabNetwork Molecule IDLN00204559
Canonical SMILESNC12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
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分类

  • {SNA} A-AM, Amines, Bioactive Small Molecules,
  • {SNA} Amines, Building Blocks, C10, Chemical Reagents, Chemical Synthesis, Development Quantities for Research, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Amines, Building Blocks, C10, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 6ring; 8ring; 1fragment
  • {SNA} A-AM, Amines, Bioactive Small Molecules, Building Blocks, C10, Cell Biology, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
  • Short: II/19c Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19c Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54893-9 ISBN: 978-3-540-54893-5 Internet Resource: DOI:10.1007/b44435 RefComment: 8 figs., XI, 295 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplem

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSYD1925000
Precautionary statements
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P301+P312+P330
  • P302+P350
  • P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P308+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P310
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P304+P340+P310
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P305+P351+P338+P337+P313
Signal word Warning
Hazard Codes Xn Xn,Xi Xi
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 223 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #2070004

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JNPHAG Journal de Pharmacologie.  (SPPIF, B.P.22, F-41353 Vineuil, France)
   V.1-    1970-  Volume(issue)/page/year: 9,121,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 245 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - ataxia
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   5,557,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : >316 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EESADV Ecotoxicology and Environmental Safety.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1977-  Volume(issue)/page/year:
   6,149,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of to

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 89,95,1981

Hazard Class8
UN Number 3259
Packing GroupII
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

  • Sigma Aldrich:768-94-5(sigmaaldrich)
  • 图谱信息:1-金刚烷胺(768-94-5)核磁图( 13 CNMR) 1-金刚烷胺(768-94-5)Raman光谱 1-金刚烷胺(768-94-5)核磁图( 1 HNMR) 1-金刚烷胺(768-94-5)红外图谱(IR1) 1-金刚烷胺(768-94-5)质谱(MS) 1-金刚烷胺(768-94-5)红外图谱(IR3) 1-金刚烷胺(768-94-5)红外图谱(IR2)
  • 下游产品:盐酸金刚烷胺
  • MOL 文件:768-94-5.mol
  • 用途一:抗病毒药,也是抗震颤麻痹药。
  • MSDS 信息:Amantadine(768-94-5).msds
  • F:10-34
  • Acros Organics:1-Adamantanamine(768-94-5)
  • 1-金刚烷胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 160470250 1-金刚烷胺 1-Adamantanamine 96% 25 GR 1603元 2010/06/21 160470050 1-金刚烷胺 1-Adamantanamine 96% 5 GR 413元
  • 方法一:由金刚烷溴化后再与尿素反应而得。工艺过程如下:将金刚烷加入干燥的搪玻璃反应罐中,滴加溴素,缓慢升温,在1h内从50℃升到65-75℃,回流反应6h,最终温度达到110℃(随着反应物的变化,物料沸点逐渐升高)。反应后放置过夜。然后升至45℃,滴加7%亚硫酸氢钠溶液以除去过剩的溴,过滤,滤饼用水洗至pH=7,自然干燥,得溴代金刚烷。将溴代金刚烷和尿素混合均匀,加热至180℃,反应开始,内温猛升到230-240℃。反应结束后,自然降温,加入浓盐酸溶解,移入蒸馏罐中,加入氢氧化钠碱化,然后进行水蒸汽蒸馏,得金刚烷胺。
  • 上游原料:溴 --> 亚硫酸氢钠溶液 --> 金刚烷 --> 蒸馏罐 --> 搪玻璃反应罐

系列性分类


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