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

Modify Date: 2024-01-24 18:39:17

2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone structure	Common Name	2-(azepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
	CAS Number	20195-20-4	Molecular Weight	249.30600
	Density	1.192g/cm3	Boiling Point	460.8ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₉NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	232.5ºC

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

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

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

HS Code	2933990090

Azepane structure

Azepane

CAS#:111-49-9

3,4-dihydroxyphenacyl chloride structure

3,4-dihydroxyph...

CAS#:99-40-1

~%

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

2-(azepan-1-yl)...

CAS#:20195-20-4

Literature: Blicke; Johnson Journal of the American Pharmaceutical Association (1912-1977), 1956 , vol. 45, p. 440

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%