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%