-
Name
6-benzyl-1-[(benzyloxy)methyl]-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
- EINECS
- CAS No. 175739-42-1
- Article Data3
- CAS DataBase
- Density 1.172 g/cm3
- Solubility
- Melting Point
- Formula C22H24N2O3
- Boiling Point
- Molecular Weight 364.437560
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2,4(1H,3H)-Pyrimidinedione, 5-(1-methylethyl)-1-((phenylmethoxy)methyl)-6-(phenylmethyl)-;
- PSA
- LogP
TNK 651 Specification
The TNK 651, with the CAS registry number of 175739-42-1, is also known as 2,4(1H,3H)-Pyrimidinedione, 5-(1-methylethyl)-1-((phenylmethoxy)methyl)-6-(phenylmethyl)-. This chemical's molecular formula is C22H24N2O3 and molecular weight is 364.437560. What's more, its IUPAC name is 6-Benzyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dion.
Physical properties about the TNK 651 are: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 49.85 Å2; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 103.8 cm3; (9)Molar Volume: 310.8 cm3; (10)Surface Tension: 46.5 dyne/cm; (11)Density: 1.172 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C(/N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C
(2) InChI: InChI=1/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
(3) InChIKey: KSAAUHMSLCPIEX-UHFFFAOYAB
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