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

Name
6-AMINO-1-BENZYLURACIL
EINECS
CAS No. 41862-11-7
Article Data21
CAS DataBase
Density 1.326 g/cm³
Solubility
Melting Point 289-291 °C (dec.)
Formula C₁₁H₁₁N₃O₂
Boiling Point
Molecular Weight 217.227
Flash Point
Transport Information
Appearance off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-1-benzyl-1,3-dihydropyrimidine-2,4-dione;6-Amino-1-benzyluracil;NSC 70496;
PSA 80.88000
LogP 0.74830

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

The 2, 4(1H, 3H)-Pyrimidinedione, 6-amino-1-(phenylmethyl)-, with the CAS registry number 41862-11-7, is also known as 6-Amino-1-benzyluracil. It belongs to the product categories of Nucleotides and Nucleosides; 5-FOA; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C₁₁H₁₁N₃O₂ and molecular weight is 217.22. What's more, its IUPAC name is 6-Amino-1-benzylpyrimidine-2, 4-dione.

Physical properties about 2, 4(1H, 3H)-Pyrimidinedione, 6-amino-1-(phenylmethyl)- are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.55; (8)ACD/KOC (pH 7.4): 25.55; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.86 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 57.94 cm³; (15)Molar Volume: 163.7 cm³; (16)Polarizability: 22.96×10^-24 cm³; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.326 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(/N)N(C(=O)N1)Cc2ccccc2
(2) InChI: InChI=1/C11H11N3O2/c12-9-6-10(15)13-11(16)14(9)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,15,16)
(3) InChIKey: QMKJOZVQZBJSEC-UHFFFAOYAR

Product Name

6-AMINO-1-BENZYLURACIL

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

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