ectylurea

Names

[ CAS No. ]:
95-04-5

[ Name ]:
ectylurea

[Synonym ]:
cis-2-Ethyl-crotonylharnstoff
Levanil
2-Ethylcrotonylurea
Astyn
N-<2-Ethyl-cis-crotonyl>-harnstoff
2-Ethyl-cis-crotonylurea
ectylurea

Chemical & Physical Properties

[ Density]:
1.082g/cm3

[ Boiling Point ]:
280.42°C (rough estimate)

[ Melting Point ]:
198°, also reported as mp 191-193° (lower melting form, mp 158°)

[ Molecular Formula ]:
C7H12N2O2

[ Molecular Weight ]:
156.18200

[ Exact Mass ]:
156.09000

[ PSA ]:
72.19000

[ LogP ]:
1.62880

[ Index of Refraction ]:
1.488

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YT2800000
CHEMICAL NAME :
Urea, (2-ethylcrotonoyl)-, (Z)-
CAS REGISTRY NUMBER :
95-04-5
LAST UPDATED :
199707
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C7-H12-N2-O2
MOLECULAR WEIGHT :
156.21
WISWESSER LINE NOTATION :
ZVMVY2&U2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MEIEDD Merck Index. (Merck & Co., Inc., Rahway, NJ 07065) 10th ed. 1983. For publisher information, see 85KYAH. Volume(issue)/page/year: 10,507,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity)
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 12,357,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 14,845,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,425,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic Gastrointestinal - nausea or vomiting
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: 114,418,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity)
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 12,357,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,425,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity)
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 12,357,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity)
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 12,357,1953

Safety Information

[ HS Code ]:
2924210090

Synthetic Route

Precursor & DownStream

Precursor

  • (2-bromo-2-ethylbutyryl)urea
  • 2-BROMO-2-ETHYLBUTYRYL BROMIDE

DownStream

Customs

[ HS Code ]: 2924210090

[ Summary ]:
2924210090 other ureines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%


Related Compounds

  • 4-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropaneamido}oxolane-3-carboxylic acid
  • (2R,4R)-1-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropanecarbonyl}-4-hydroxypyrrolidine-2-carboxylic acid
  • 4-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropanecarbonyl}-2-methylmorpholine-3-carboxylic acid
  • 3-[N-benzyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanamido]propanoic acid
  • 3-[N-benzyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]propanoic acid
  • 3-[N-benzyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]propanoic acid
  • 3-[(2R)-N-benzyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]propanoic acid
  • 3-{N-benzyl-1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methylcyclopentyl]formamido}propanoic acid
  • 1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbut-2-enoyl]piperidine-4-carboxylic acid
  • 3-cyclopropyl-2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbut-2-enamido]propanoic acid
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