[2-(3-methoxypropoxy)ethyl](methyl)amine

• ChemBase ID: 15405
• Molecular Formular: C7H17NO2
• Molecular Mass: 147.21538
• Monoisotopic Mass: 147.12592879
• SMILES: N(CCOCCCOC)C
• Canonical SMILES: CNCCOCCCOC
• InChI: InChI=1S/C7H17NO2/c1-8-4-7-10-6-3-5-9-2/h8H,3-7H2,1-2H3
• InChIKey: SCPGKCMHZICSIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methoxypropoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(3-methoxypropoxy)ethyl](methyl)amine
• Synonyms: 2-(3-Methoxypropoxy)-N-methyl-1-ethanamine; [2-(3-methoxypropoxy)ethyl](methyl)amine

Database IDs

• MDL Number: MFCD06248085
• PubChem SID: 160978712
• PubChem CID: 26188651

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4220169
• LogD (pH = 7.4): -2.4685879
• Log P: -0.22686975
• Molar Refractivity: 41.6458 cm^3
• Polarizability: 16.534874 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.147

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%