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95-04-5

Basic Information
CAS No.: 95-04-5
Name: ectylurea
Article Data: 11
Molecular Structure:
Molecular Structure of 95-04-5 (ectylurea)
Formula: C7H12 N2 O2
Molecular Weight: 156.184
Synonyms: 2-Butenamide,N-(aminocarbonyl)-2-ethyl-, (Z)-; Urea, (2-ethylcrotonoyl)-, (Z)- (8CI);(2-Ethyl-cis-crotonyl)urea; (a-Ethyl-cis-crotonyl)carbamide; Astyn; Cronil; Ectylcarbamide; Ectylurea;Ektyl; Levanil; Nastyn; Neuroprocin; Nostal; Nostyn; Pacetyn
Density: 1.082g/cm3
Melting Point: 198°, also reported as mp 191-193° (lower melting form, mp 158°)
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by ingestion and intraperitoneal routes. A sedative. When heated to decomposition it emits toxic fumes of NOx.
PSA: 72.19000
LogP: 1.62880
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Chemistry

IUPAC Name: (E)-N-carbamoyl-2-ethylbut-2-enamide
Synonyms of cis-(2-Ethylcrotonyl)urea (CAS NO.95-04-5): (Z)-(alpha-Ethylcrotonyl)carbamide ;  (Z)-N-(Aminocarbonyl)-2-ethyl-2-butenamide ; (alpha-Ethyl-cis-crotonyl)carbamide ; 2-Ethyl-cis-crotonylurea ; A18285 ; Cronil ; Disteol ; EINECS 202-386-8 ; Ectilurea [INN-Spanish] ; Ectyluree [INN-French] ; Levanil ; Nostyn ; Pacetyn ; Sedarex ; Tranzer ; Urea, (2-ethylcrotonoyl)-, cis- ; 2-Butenamide, N-(aminocarbonyl)-2-ethyl-, (Z)- (9CI) ; Urea, (2-ethylcrotonoyl)-, (Z)-
CAS NO: 95-04-5
Molecular Formula of cis-(2-Ethylcrotonyl)urea (CAS NO.95-04-5): C7H12N2O2
Molecular Weight: 156.1824
Molecular Structure:

H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.488
Molar Refractivity: 41.56 cm3
Molar Volume: 144.2 cm3
Surface Tension: 39.3 dyne/cm
Density of cis-(2-Ethylcrotonyl)urea (CAS NO.95-04-5): 1.082 g/cm3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intraperitoneal 900mg/kg (900mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 12, Pg. 357, 1953.
dog LD50 oral 2800mg/kg (2800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANTIPSYCHOTIC

GASTROINTESTINAL: NAUSEA OR VOMITING
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 114, Pg. 418, 1958.
guinea pig LD50 intraperitoneal 1100mg/kg (1100mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 12, Pg. 357, 1953.
mouse LD50 intraperitoneal 1780mg/kg (1780mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 425, 1972.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Farmaco, Edizione Scientifica. Vol. 14, Pg. 845, 1959.
rabbit LD50 intraperitoneal 1400mg/kg (1400mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 12, Pg. 357, 1953.
rabbit LD50 oral 1200mg/kg (1200mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 425, 1972.
rat LD50 intraperitoneal 900mg/kg (900mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 12, Pg. 357, 1953.
rat LD50 oral 2500mg/kg (2500mg/kg)   Merck Index. Vol. 10, Pg. 507, 1983.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. A sedative. When heated to decomposition it emits toxic fumes of NOx.