Benzenepropanoic acid,3-[(2-fluoroethyl)amino]-, methyl ester, hydrochloride (1:1)

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Names

[ CAS No. ]:
1212-39-1

[ Name ]:
Benzenepropanoic acid,3-[(2-fluoroethyl)amino]-, methyl ester, hydrochloride (1:1)

[Synonym ]:
Methyl 3-(2-fluoroethylamino)hydrocinnamate hydrochloride
m-((2-Fluoroethyl)amino)hydrocinnamic acid methyl ester hydrochloride
HYDROCINNAMIC ACID,3-(2-FLUOROETHYLAMINO)-,METHYL ESTER,HYDROCHLORIDE
Methyl N-2-fluoroethyl-3-(m-aminophenyl)propionate hydrochloride

Chemical & Physical Properties

[ Density]:
1.125g/cm3

[ Boiling Point ]:
340.1ºC at 760 mmHg

[ Molecular Formula ]:
C12H17ClFNO2

[ Molecular Weight ]:
261.72000

[ Flash Point ]:
159.5ºC

[ Exact Mass ]:
261.09300

[ PSA ]:
38.33000

[ LogP ]:
3.04860

[ Vapour Pressure ]:
8.78E-05mmHg at 25°C

[ Index of Refraction ]:
1.524

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5297000
CHEMICAL NAME :
Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride
CAS REGISTRY NUMBER :
1212-39-1
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H16-F-N-O2.Cl-H
MOLECULAR WEIGHT :
261.75
WISWESSER LINE NOTATION :
F2MR C2VO1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,741,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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#12304

Related Compounds

  • 3-(2-(indolin-1-yl)-2-oxoethyl)-6-methyl-2-morpholinopyrimidin-4(3H)-one
  • 3-(2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)-6-methyl-2-morpholinopyrimidin-4(3H)-one
  • 2-(2-amino-4-(methoxymethyl)-6-oxopyrimidin-1(6H)-yl)-N-(4-fluoro-2-methylphenyl)acetamide
  • 2-[2-amino-4-(methoxymethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
  • N-benzyl-N-ethyl-2-[4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-1-yl]acetamide
  • tert-butyl(S,E)-3-(4-((3-(methoxycarbonyl)-2-nitrobenzylidene)amino)phenyl)piperidine-1-carboxylate
  • Methyl 2-phenyl-2H-indazole-7-carboxylate
  • 3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-methyl-2-morpholinopyrimidin-4(3H)-one
  • N-cyclopentyl-2-(4-methyl-2-morpholino-6-oxopyrimidin-1(6H)-yl)acetamide
  • 2-[4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
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