N-(oxan-4-yl)oxan-4-amine

• ChemBase ID: 77948
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N(C1CCOCC1)C1CCOCC1
• Canonical SMILES: O1CCC(CC1)NC1CCOCC1
• InChI: InChI=1S/C10H19NO2/c1-5-12-6-2-9(1)11-10-3-7-13-8-4-10/h9-11H,1-8H2
• InChIKey: WWPWWQFNGOWXOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxan-4-yl)oxan-4-amine
• IUPAC Traditional name: N-(oxan-4-yl)oxan-4-amine
• Synonyms: N-(Tetrahydro-2H-pyran-4-yl)tetrahydro-2H-pyran-4-amine; Bis(tetrahydro-2H-pyran-4-yl)amine 97%; di(tetrahydropyran-4-yl)amine

Database IDs

• CAS Number: 1080028-76-7
• MDL Number: MFCD11841081
• PubChem SID: 162042789
• PubChem CID: 33589627

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5053642
• LogD (pH = 7.4): -3.147016
• Log P: -0.2705063
• Molar Refractivity: 51.6444 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74-74.1°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%