(2-methoxyethyl)(propyl)amine

• ChemBase ID: 797107
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(CCC)CCOC
• Canonical SMILES: CCCNCCOC
• InChI: InChI=1S/C6H15NO/c1-3-4-7-5-6-8-2/h7H,3-6H2,1-2H3
• InChIKey: UDZCEFCJEGGQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(propyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(propyl)amine
• Synonyms: N-(2-Methoxyethyl)-N-propylaMine

Database IDs

• CAS Number: 43175-57-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5735943
• LogD (pH = 7.4): -1.7924016
• Log P: 0.63947636
• Molar Refractivity: 35.0095 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%