2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone

Names

[ CAS No. ]:
20195-20-4

[ Name ]:
2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone

Chemical & Physical Properties

[ Density]:
1.192g/cm3

[ Boiling Point ]:
460.8ºC at 760 mmHg

[ Molecular Formula ]:
C14H19NO3

[ Molecular Weight ]:
249.30600

[ Flash Point ]:
232.5ºC

[ Exact Mass ]:
249.13600

[ PSA ]:
60.77000

[ LogP ]:
2.09440

[ Vapour Pressure ]:
4.1E-09mmHg at 25°C

[ Index of Refraction ]:
1.576

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM7700500
CHEMICAL NAME :
Acetophenone, 3',4'-dihydroxy-2-(hexahydro-1H-azepin-1-yl)-
CAS REGISTRY NUMBER :
20195-20-4
BEILSTEIN REFERENCE NO. :
0201053
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H19-N-O3
MOLECULAR WEIGHT :
249.34
WISWESSER LINE NOTATION :
T7NTJ A1VR CQ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 226,493,1955

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-(5-bromopyridin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
  • 2-(2-chloro-2H-pyridin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
  • 2-Azepan-1-yl-1-(4-pentyloxy-phenyl)-ethanone; hydrochloride
  • 2-Azepan-1-yl-1-(4-propoxy-phenyl)-ethanone; hydrochloride
  • 2-Azepan-1-yl-1-(4-ethoxy-phenyl)-ethanone; hydrochloride
  • 2-Azepan-1-yl-1-(4-butoxy-phenyl)-ethanone; hydrochloride
  • 5-chloro-N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
  • N-[2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide
  • 3-chloro-N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}benzamide
  • 2-fluoro-N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}benzamide
  • 2-(2-fluorophenoxy)-N-[4-(4-propoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
  • 4-bromo-N-[4-(4-propoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
  • 2-chloro-N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}benzamide
  • 4-fluoro-N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}benzamide
  • 4-methoxy-N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}benzamide
  • N-(2-methanesulfonylphenyl)-2,5-dimethoxybenzamide
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