N-Benzylacetamide N-乙酰苄胺

CAS 588-46-5 MFCD00059204

化学结构图

588-46-5
SMILES: CC(=O)NCc1ccccc1

化学属性

Mol. FormulaC9H11NO
Mol. Weight149.19
Boiling Point157 °C at 2 mmHg
Melting Point61 °C

别名和识别编码

Chemical NameN-Benzylacetamide
Synonym N-Benzylacetamide {LY} N-Benzylacetamide {} {LY} N-Benzylacetamide {} {} {LY} N-Benzylacetamide {} {} {} {LY} N-Benzylacetamide {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Benzylacetamide {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00059204
CAS Number588-46-5
Beilstein Registry Number12(4)2230
Reaxys-RN1817692
PubChem Substance ID11500
Chemical Name TranslationN-乙酰苄胺
EC Number209-619-2
Wiswesser Line Notation1VM1R
LabNetwork Molecule IDLN00195144
InChIKeyUZJLYRRDVFWSGA-UHFFFAOYSA-N
InChIInChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
Canonical SMILESCC(NCC1=CC=CC=C1)=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; 1fragment

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data,

安全信息

RTECSAB4546300
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 550 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - changes in motor activity (specific assay)
   Behavioral - antipsychotic
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 127,220,1960

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

  • 方法一:用氯苄以氨水胺化，生成苄胺盐酸盐，以碱中和得苄胺，后者以乙酸酰化制得该品。
  • 图谱信息:N-苄基乙酰胺 (588-46-5)红外图谱(IR1) N-苄基乙酰胺 (588-46-5)核磁图( 1 HNMR) N-苄基乙酰胺 (588-46-5)质谱(MS) N-苄基乙酰胺 (588-46-5)核磁图( 13 CNMR) N-苄基乙酰胺 (588-46-5)Raman光谱 N-苄基乙酰胺 (588-46-5)红外图谱(IR2)
  • 上游原料:苯甲胺盐酸盐
  • TCI Shanghai:N-乙酰苄胺 N-Benzylacetamide,>;98.0%(GC)(588-46-5)
  • MOL 文件:588-46-5.mol
  • 用途一:磺胺米隆醋酸盐的中间体。

系列性分类

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