5-But-2-enyl-5-butyl-1,3-diazinane-2,4,6-trione supplier

Name
5-(but-2-en-1-yl)-5-butylpyrimidine-2,4,6(1H,3H,5H)-trione
EINECS
CAS No. 67526-22-1
Density 1.077 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂O₃
Boiling Point
Molecular Weight 238.2829
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(But-2-en-1-yl)-5-butylpyrimidine-2,4,6(1H,3H,5H)-trione;
PSA
LogP

5-But-2-enyl-5-butyl-1,3-diazinane-2,4,6-trione Specification

The CAS registry number of 5-But-2-enyl-5-butyl-1,3-diazinane-2,4,6-trione is 67526-22-1. The IUPAC name is 5-(but-2-en-1-yl)-5-butylpyrimidine-2,4,6(1H,3H,5H)-trione. In addition, the formula is C₁₂H₁₈N₂O₃ and the molecular weight is 238.2829.

Physical properties about 5-But-2-enyl-5-butyl-1,3-diazinane-2,4,6-trione are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 36.02; (6)ACD/BCF (pH 7.4): 27.18; (7)ACD/KOC (pH 5.5): 452.14; (8)ACD/KOC (pH 7.4): 341.21; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.69 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 62.68 cm³; (15)Molar Volume: 221.2 cm³; (16)Polarizability: 24.84 ×10^-24cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.077 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC(=O)C1(CCCC)CC=CC
(2)InChI: InChI=1/C12H18N2O3/c1-3-5-7-12(8-6-4-2)9(15)13-11(17)14-10(12)16/h3,5H,4,6-8H2,1-2H3,(H2,13,14,15,16,17)
(3)InChIKey: DARREYPXFUYMQI-UHFFFAOYAX

Product Name

5-(but-2-en-1-yl)-5-butylpyrimidine-2,4,6(1H,3H,5H)-trione

5-But-2-enyl-5-butyl-1,3-diazinane-2,4,6-trione Specification

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