Azacyclotridecan-2-One 十二内酰胺

CAS 947-04-6 MFCD00005104

化学结构图

947-04-6
SMILES: O=C1CCCCCCCCCCCN1

化学属性

Mol. FormulaC12H23NO
Mol. Weight197.32
Melting Point154 °C
Boiling Point314.9±10.0 °C at 760 mmHg
Flash Point188.2±4.0 °C

别名和识别编码

Chemical NameAzacyclotridecan-2-One
CAS Number947-04-6
Alfabeta NameAZACYCLOTRIDECANONE 2--
MDL NumberMFCD00005104
Synonym Azacyclotridecan-2-one {LY} Azacyclotridecan-2-one {} {LY} Azacyclotridecan-2-one {} {} {LY} Azacyclotridecan-2-one {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azacyclotridecan-2-one {} {} {} {} {} {} {} {} {}
PubChem Substance ID87572054
Beilstein Registry Number21(3/4)3284
EC Number213-424-8
Reaxys-RN122031
Chemical Name Translation十二内酰胺
LabNetwork Molecule IDLN00158669
InChIInChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
Canonical SMILESO=C1CCCCCCCCCCCN1
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; large ring; 13ring; amide; lactame; 1fragment
  • {SNA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactams, Organic Building Blocks

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/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) 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

安全信息

Warnings IRRITANT
WGK Germany1
RTECSCL6940000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P308+P311
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - tremor
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 60,1058,1971

GHS Symbol
Signal word
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Lactams - Carbonyl Compounds

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