5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid supplier

Name
5-Ethyl-5-(1-propyl-1-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
EINECS
CAS No. 67050-97-9
Density 1.077g/cm³
Solubility
Melting Point
Formula C₁₃H₂₀N₂O₃
Boiling Point 395.49°C (rough estimate)
Molecular Weight 252.35
Flash Point
Transport Information
Appearance
Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x. See also BARBITURATES.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA 75.27000
LogP 2.54290

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Chemical Properties

Molecule structure of 5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid (CAS NO.67050-97-9):

IUPAC Name: 5-Ethyl-5-[(E)-hept-3-en-4-yl]-1,3-diazinane-2,4,6-trione
Molecular Weight: 252.3095 g/mol
Molecular Formula: C₁₃H₂₀N₂O₃
Density: 1.077 g/cm³
Index of Refraction: 1.484
Molar Refractivity: 67 cm³
Molar Volume: 234 cm³
Polarizability: 26.56×10^-24 cm³
Surface Tension: 35.9 dyne/cm
XLogP3-AA: 2.7
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 5
Exact Mass: 252.147393
MonoIsotopic Mass: 252.147393
Topological Polar Surface Area: 75.3
Heavy Atom Count: 18
Complexity: 379
Canonical SMILES: CCCC(=CCC)C1(C(=O)NC(=O)NC1=O)CC
Isomeric SMILES: CCC/C(=C\CC)/C1(C(=O)NC(=O)NC1=O)CC
InChI: InChI=1S/C13H20N2O3/c1-4-7-9(8-5-2)13(6-3)10(16)14-12(18)15-11(13)17/h7H,4-6,8H2,1-3H3,(H2,14,15,16,17,18)/b9-7+
InChIKey: ZGEFOMKYXGUESG-VQHVLOKHSA-N
Classification Code of 5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid (CAS NO.67050-97-9): Drug / Therapeutic Agent

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Toxicity Data With Reference

1.		orl-mus LD50:220 mg/kg		JACSAT Journal of the American Chemical Society. 61 (1939),776.
2.		ipr-mus LD50:130 mg/kg		JACSAT Journal of the American Chemical Society. 61 (1939),776.

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x. See also BARBITURATES.

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Specification

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid (CAS NO.67050-97-9) is also named as 4-24-00-02025 (Beilstein Handbook Reference) ; BRN 0240664 ; Barbituric acid, 5-ethyl-5-(1-propyl-1-butenyl)- .

Product Name

5-Ethyl-5-(1-propyl-1-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Chemical Properties

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Toxicity Data With Reference

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Safety Profile

5-Ethyl-5-(1-propyl-1-butenyl)barbituric acid Specification

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