propylurea; silanone

• ChemBase ID: 138654
• Molecular Formular: C4H12N2O2Si
• Molecular Mass: 148.23578
• Monoisotopic Mass: 148.06680417
• SMILES: CCCNC(=O)N.O=[SiH2]
• Canonical SMILES: CCCNC(=O)N.O=[SiH2]
• InChI: InChI=1S/C4H10N2O.H2OSi/c1-2-3-6-4(5)7;1-2/h2-3H2,1H3,(H3,5,6,7);2H2
• InChIKey: BUJWKMFMHPSDKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propylurea; silanone
• IUPAC Traditional name: propylurea; silicon monoxide
• Synonyms: Ureido-3 functionalized silica gel; 3-(Ureido)propyl-functionalized silica gel; 脲基-3 官能化硅胶; 3-(脲基)丙基官能化硅胶

Database IDs

• MDL Number: MFCD03095974
• PubChem SID: 162232905
• PubChem CID: 45052165

CALCULATED PROPERTIES

• Acid pKa: 15.841962
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.26082748
• LogD (pH = 7.4): -0.26082745
• Log P: -0.26082745
• Molar Refractivity: 27.3119 cm^3
• Polarizability: 10.468231 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 1.2 mmol/g loading

DETAILS

Sigma Aldrich - 552615

Packaging
5 g in glass bottle