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-{[(Benzyloxy)carbonyl]amino}-4-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
  • rac-2-[(1R,5R)-6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)bicyclo[3.2.0]heptan-6-yl]acetic acid
  • 3-Amino-6-cyclopropylhexanamide
  • 2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,3-dimethylcyclobutyl]acetic acid
  • 2-(3-{[(Tert-butoxy)carbonyl]amino}-4-methylthiolan-3-yl)acetic acid
  • 3-(But-3-en-2-yl)-5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one
  • 3-(But-3-en-2-yl)-5-butyl-2-sulfanylideneimidazolidin-4-one
  • 3-(But-3-en-2-yl)-5-(hydroxymethyl)-2-sulfanylideneimidazolidin-4-one
  • (5R)-3-(but-3-en-2-yl)-2-sulfanylidene-5-(2-sulfanylpropan-2-yl)imidazolidin-4-one
  • 2-[2-({1-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazol-4-yl}amino)ethoxy]ethan-1-ol
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