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67051-27-8

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Basic Information
CAS No.: 67051-27-8
Name: 5-(3-Methyl-2-butenyl)-5-isopropyl-1-methylbarbituric acid
Molecular Structure:
Molecular Structure of 67051-27-8 (5-(3-Methyl-2-butenyl)-5-isopropyl-1-methylbarbituric acid)
Formula: C13H20N2O3
Molecular Weight: 252.35
Density: 1.077g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
PSA: 69.97000
LogP: 1.90710
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Chemistry

Molecular structure of 5-(2-Isopentenyl)-5-isopropyl-1-methylbarbituric acid (CAS NO.67051-27-8) is:

Product Name: 5-(2-Isopentenyl)-5-isopropyl-1-methylbarbituric acid
CAS Registry Number: 67051-27-8
IUPAC Name: 1-methyl-5-(3-methylbut-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Molecular Weight: 252.3095 [g/mol]
Molecular Formula: C13H20N2O3
XLogP3: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Molar Volume: 234 cm3
Surface Tension: 35 dyne/cm
Density: 1.077 g/cm3 
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12mg/kg (12mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Chemical Society. Vol. 72, Pg. 4319, 1950.
mouse LD50 subcutaneous 70mg/kg (70mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Chemical Society. Vol. 72, Pg. 4319, 1950.
rabbit LD50 intravenous 5mg/kg (5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of the American Chemical Society. Vol. 72, Pg. 4319, 1950.

Safety Profile

Poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.

Specification

 5-(2-Isopentenyl)-5-isopropyl-1-methylbarbituric acid , its cas register number is 67051-27-8. It also can be called 4-24-00-02018 (Beilstein Handbook Reference) ; BRN 0234165 ; Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- .