3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Base Information

• Chemical Name: 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
• CAS No.: 175203-47-1
• Molecular Formula: C15H15 N3 O2
• Molecular Weight: 269.29900
• Hs Code.: 2933599590
• DSSTox Substance ID: DTXSID60381302
• Wikidata: Q82172042
• Mol file: 175203-47-1.mol

Synonyms:175203-47-1;3-benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonitrile;3-benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;Maybridge1_004999;Oprea1_339644;HMS555L05;DTXSID60381302;CGYSBPLTCJYBOI-UHFFFAOYSA-N;CCG-56420;MFCD00203983;AKOS015908717;AS-9159;SB60239;KM 07738;CS-0324164;FT-0615092;A811868;SR-01000645377-1;2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinecarbonitrile;2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidine-5-carbonitrile

Chemical Property of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Chemical Property:

• Vapor Pressure: 1.41E-06mmHg at 25°C
• Melting Point: 151oC
• Boiling Point: 399.1oC at 760 mmHg
• Flash Point: 195.1oC
• PSA: 67.79000
• Density: 1.26g/cm3
• LogP: 1.51088
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 269.116426730
• Heavy Atom Count: 20
• Complexity: 481

Purity/Quality:

98%min ^*data from raw suppliers

3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C#N