3,4,5-Trimethoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride

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Names

[ CAS No. ]:
4304-21-6

[ Name ]:
3,4,5-Trimethoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride

[Synonym ]:
McN-67-A-11

Chemical & Physical Properties

[ Density]:
1.076g/cm3

[ Boiling Point ]:
371.4ºC at 760 mmHg

[ Molecular Formula ]:
C16H26ClNO5

[ Molecular Weight ]:
347.83400

[ Flash Point ]:
178.4ºC

[ Exact Mass ]:
347.15000

[ PSA ]:
57.23000

[ LogP ]:
3.01300

[ Index of Refraction ]:
1.499

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI0320000
CHEMICAL NAME :
Benzoic acid, 3,4,5-trimethoxy-, 2-(diethylamino)ethyl ester, hydrochloride
CAS REGISTRY NUMBER :
4304-21-6
LAST UPDATED :
198303
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H25-N-O5.Cl-H
MOLECULAR WEIGHT :
347.88
WISWESSER LINE NOTATION :
2N2&2OVR CO1 DO1 EO1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 137,410,1962 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
303 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 137,410,1962

Related Compounds

  • (E)-1-(6-Bromopyridin-2-YL)ethan-1-one O-methyl oxime
  • 3-(5-Bromothiophen-2-yl)-1,1-difluoro-2-methylpropan-2-amine
  • 2-(2-Bromo-5-fluorophenyl)-1-methylpiperidin-4-amine
  • O-{1-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]ethyl}hydroxylamine
  • 6-Chloro-2-methoxy-3-[(3-methylazetidin-3-yl)oxy]pyridine
  • 2-bromo-1-(1H-pyrazol-5-yl)ethan-1-ol
  • 5-(2,5-difluoro-4-nitrophenyl)-1H-imidazol-2-amine
  • 3-(2-Chloro-6-methylpyridin-3-yl)-2,2-difluoropropan-1-amine
  • (2R)-4-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]butan-2-amine
  • 2-(2-Bromo-4,5-difluorophenyl)-2,2-difluoroethan-1-amine
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