(4,4-dimethoxybutyl)dimethylamine

• ChemBase ID: 795876
• Molecular Formular: C8H19NO2
• Molecular Mass: 161.24196
• Monoisotopic Mass: 161.14157885
• SMILES: C(CCC(OC)OC)N(C)C
• Canonical SMILES: COC(CCCN(C)C)OC
• InChI: InChI=1S/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3
• InChIKey: WDZKKBDOGYBYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,4-dimethoxybutyl)dimethylamine
• IUPAC Traditional name: (4,4-dimethoxybutyl)dimethylamine
• Synonyms: 4,4-DiMethoxy-N,N-diMethylbutan-1-aMine

Database IDs

• CAS Number: 19718-92-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.6642022
• LogD (pH = 7.4): -1.5819378
• Log P: 0.77071744
• Molar Refractivity: 46.4331 cm^3
• Polarizability: 18.374706 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%