5-Aminoacenaphthene 1,2-二氢萘-5-胺

CAS 4657-93-6 MFCD00029136

化学结构图

4657-93-6
SMILES: Nc1ccc2c3c(cccc13)CC2

化学属性

Mol. FormulaC12H11N
Mol. Weight169.22244
Melting Point107.85 °C
Boiling Point288.52 °C at 760 mmHg

别名和识别编码

Chemical Name1,2-Dihydroacenaphthylen-5-amine
Synonym 1,2-Dihydroacenaphthylen-5-amine {LY} 1,2-Dihydroacenaphthylen-5-amine {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Dihydroacenaphthylen-5-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2-Dihyd
MDL NumberMFCD00029136
CAS Number4657-93-6
Chemical Name Translation1,2-二氢萘-5-胺
Wiswesser Line NotationL566 1A LT&&J HZ
Beilstein Registry Number2094079
LabNetwork Molecule IDLN00664447
PubChem Substance ID62547
InChIInChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2
Canonical SMILESNC1=CC=C2C3=C1C=CC=C3CC2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 11ring; 1fragment

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.

安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 160 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   NEZAAQ Nippon Eiseigaku Zasshi.  Japanese Journal of Hygiene.  (Nippon Eisei
   Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606,
   Japan)  V.1-    1946-  Volume(issue)/page/year: 24,263,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3744 mg/kg/78W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Blood - leukemia
REFERENCE :
   NEZAAQ Nippon Eiseigaku Zasshi.  Japanese Journal of Hygiene.  (Nippon Eisei
   Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606,
   Japan)  V.1-    1946-  Volume(issue)/page/year: 24,263,1969

RTECSAB0900000
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#01911

Storage condition

系列性分类


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