4-(morpholin-4-yl)oxane-4-carbonitrile

• ChemBase ID: 288731
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: N#CC1(N2CCOCC2)CCOCC1
• Canonical SMILES: N#CC1(CCOCC1)N1CCOCC1
• InChI: InChI=1S/C10H16N2O2/c11-9-10(1-5-13-6-2-10)12-3-7-14-8-4-12/h1-8H2
• InChIKey: LILROIRKPWOZSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)oxane-4-carbonitrile
• IUPAC Traditional name: 4-(morpholin-4-yl)oxane-4-carbonitrile
• Synonyms: 4-Morpholinotetrahydro-2H-pyran-4-carbonitrile

Database IDs

• CAS Number: 1026586-38-8
• PubChem SID: 180674262
• PubChem CID: 10512089

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3322509
• LogD (pH = 7.4): -0.30344546
• Log P: -0.30306557
• Molar Refractivity: 52.6418 cm^3
• Polarizability: 20.467075 Å^3
• Polar Surface Area: 45.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%