1,3-diethylselenourea

• ChemBase ID: 111756
• Molecular Formular: C5H13N2Se
• Molecular Mass: 180.13012
• Monoisotopic Mass: 181.02439443
• SMILES: CCNC(=[SeH])NCC
• Canonical SMILES: CCNC(=[SeH])NCC
• InChI: InChI=1S/C5H12N2Se/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
• InChIKey: NBMOASIYCXHBNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diethylselenourea
• IUPAC Traditional name: 1,3-diethylselenourea
• Synonyms: N,N'-DIETHYLSELENOUREA

Database IDs

• CAS Number: 15909-81-6
• PubChem SID: 162097170
• PubChem CID: 6327860

CALCULATED PROPERTIES

• Acid pKa: 17.872988
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 1.0394
• LogD (pH = 7.4): 1.0394
• Log P: 1.0394
• Molar Refractivity: 44.1052 cm^3
• Polarizability: 12.524893 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220806

MP Biomedicals Rare Chemical collection