dimethyl(1,4-oxazepan-6-ylmethyl)amine

• ChemBase ID: 309231
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C1(CN(C)C)CNCCOC1
• Canonical SMILES: CN(CC1CNCCOC1)C
• InChI: InChI=1S/C8H18N2O/c1-10(2)6-8-5-9-3-4-11-7-8/h8-9H,3-7H2,1-2H3
• InChIKey: MJCLSQRYBITXKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(1,4-oxazepan-6-ylmethyl)amine
• IUPAC Traditional name: dimethyl(1,4-oxazepan-6-ylmethyl)amine
• Synonyms: N,N-dimethyl-1-(1,4-oxazepan-6-yl)methanamine

Database IDs

• CAS Number: 1256643-29-4
• MDL Number: MFCD18381905

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.6978984
• LogD (pH = 7.4): -3.268244
• Log P: -0.33894855
• Molar Refractivity: 46.3444 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 24.5 Å^2