ethyl[3-(2-methyl-1,3-dioxolan-2-yl)propyl]amine

• ChemBase ID: 168670
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: CC1(CCCNCC)OCCO1
• Canonical SMILES: CCNCCCC1(C)OCCO1
• InChI: InChI=1S/C9H19NO2/c1-3-10-6-4-5-9(2)11-7-8-12-9/h10H,3-8H2,1-2H3
• InChIKey: MTQFEODULLSTRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(2-methyl-1,3-dioxolan-2-yl)propyl]amine
• IUPAC Traditional name: ethyl[3-(2-methyl-1,3-dioxolan-2-yl)propyl]amine
• Synonyms: N-Ethyl-2-methyl-1,3-dioxolane-2-propanamine; N-Ethyl-(3-(2-methyl-[1,3]dioxolan-2-yl)propyl)-amine

Database IDs

• CAS Number: 65960-33-0
• PubChem SID: 162262802
• PubChem CID: 29979981

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4152286
• LogD (pH = 7.4): -2.1064742
• Log P: 0.82101524
• Molar Refractivity: 48.9398 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Oil