(4-methoxyoxan-4-yl)methanamine

• ChemBase ID: 241673
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C1(CCOCC1)(OC)CN
• Canonical SMILES: NCC1(OC)CCOCC1
• InChI: InChI=1S/C7H15NO2/c1-9-7(6-8)2-4-10-5-3-7/h2-6,8H2,1H3
• InChIKey: AUJNIQIBGYNOMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyoxan-4-yl)methanamine
• IUPAC Traditional name: (4-methoxyoxan-4-yl)methanamine
• Synonyms: (4-methoxyoxan-4-yl)methanamine

Database IDs

• MDL Number: MFCD19214555
• PubChem SID: 164297583
• PubChem CID: 55285080

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7787027
• LogD (pH = 7.4): -2.8670602
• Log P: -0.7874796
• Molar Refractivity: 39.3274 cm^3
• Polarizability: 15.811754 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.91

Product Information

• Purity: 95%