(2-methoxyethyl)(methyl)(prop-2-yn-1-yl)amine

• ChemBase ID: 247713
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C(#C)CN(CCOC)C
• Canonical SMILES: COCCN(CC#C)C
• InChI: InChI=1S/C7H13NO/c1-4-5-8(2)6-7-9-3/h1H,5-7H2,2-3H3
• InChIKey: ODTQGXAPSKBFFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(methyl)(prop-2-yn-1-yl)amine
• IUPAC Traditional name: (2-methoxyethyl)(methyl)prop-2-yn-1-ylamine
• Synonyms: (2-methoxyethyl)(methyl)(prop-2-yn-1-yl)amine

Database IDs

• MDL Number: MFCD14649717
• PubChem SID: 164303623
• PubChem CID: 18548974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0925837
• LogD (pH = 7.4): -0.3288128
• Log P: 0.371277
• Molar Refractivity: 38.6118 cm^3
• Polarizability: 14.743999 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.965

Product Information

• Purity: 95%