2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl- supplier

Name
6-AMINO-1-BUTYL-1H-PYRIMIDINE-2,4-DIONE
EINECS
CAS No. 53681-49-5
Article Data12
CAS DataBase
Density 1.174 g/cm³
Solubility
Melting Point
Formula C₈H₁₃N₃O₂
Boiling Point
Molecular Weight 183.100777
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-1-butyl-2,4(1H,3H)-pyrimidinedione;6-Amino-1-butyluracil;
PSA 80.88000
LogP 0.50010

2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl- Specification

The 2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-, with the CAS registry number 53681-49-5, is also known as ZINC03313203. This chemical's molecular formula is C₈H₁₃N₃O₂ and molecular weight is 183.100777. Its IUPAC name is called 6-amino-1-butylpyrimidine-2,4-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-: (1)ACD/LogP: -0.27; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.87; (5)ACD/KOC (pH 7.4): 16.88; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.519; (10)Molar Refractivity: 47.36 cm³; (11)Molar Volume: 155.9 cm³; (12)Surface Tension: 42.9 dyne/cm; (13)Density: 1.174 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCN1C(=CC(=O)NC1=O)N
(2)InChI: InChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13)
(3)InChIKey: MKBLKULBTBPLRX-UHFFFAOYSA-N

Product Name

6-AMINO-1-BUTYL-1H-PYRIMIDINE-2,4-DIONE

2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl- Specification

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