1-ethyl-1,3-diazinan-2-one

• ChemBase ID: 309367
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1(=O)N(CCCN1)CC
• Canonical SMILES: CCN1CCCNC1=O
• InChI: InChI=1S/C6H12N2O/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9)
• InChIKey: DBSPZYVXETVRMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1,3-diazinan-2-one
• IUPAC Traditional name: 1-ethyl-1,3-diazinan-2-one
• Synonyms: 1-ethyltetrahydro-2(1H)-pyrimidinone

Database IDs

• CAS Number: 66639-75-6
• MDL Number: MFCD17078877

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.44756293
• LogD (pH = 7.4): -0.44756293
• Log P: -0.4475629
• Molar Refractivity: 35.4777 cm^3
• Polarizability: 13.415068 Å^3
• Polar Surface Area: 32.34 Å^2