1-Benzyl-5-phenylbarbituric acid - CAS 72846-00-5
Catalog: |
BB034707 |
Product Name: |
1-Benzyl-5-phenylbarbituric acid |
CAS: |
72846-00-5 |
Synonyms: |
5-phenyl-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione; 1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione |
IUPAC Name: | 1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione |
Description: | 1-Benzyl-5-phenylbarbituric acid (CAS# 72846-00-5) is a research reagent with potential application in dental adhesives. |
Molecular Weight: | 294.30 |
Molecular Formula: | C17H14N2O3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22) |
InChI Key: | KCWWCWMGJOWTMY-UHFFFAOYSA-N |
Melting Point: | 163-165 °C |
Purity: | 99 % |
Density: | 1.304 g/cm3 |
Appearance: | Odorless powder |
LogP: | 2.31550 |
GHS Hazard Statement: | H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113491636-A | Dental composition characterized by index of amount of silane coupling agent blended | 20200401 |
JP-2021155394-A | Methods for Synthesizing Heteroaggregated Variant Inorganic Fillers and Medical and Dental Radical Polymerizable Cured Products Containing them | 20200327 |
JP-2021155395-A | End Capping A method for synthesizing a silane coupling agent that requires hydrosilylation using noble metal-supported silicon dioxide and a dental curable composition using the same. | 20200327 |
JP-2021155398-A | Inorganic fillers coated with polymer surfactants and medical / dental compositions containing them | 20200327 |
JP-2021155399-A | Inorganic fillers coated with gradient polymer surfactants and medical / dental compositions containing them | 20200327 |
Complexity: | 451 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.10044231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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