1-(2-methyl-1,3-dioxolan-2-yl)ethan-1-amine

• ChemBase ID: 241157
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C1(OCCO1)(C(N)C)C
• Canonical SMILES: CC(C1(C)OCCO1)N
• InChI: InChI=1S/C6H13NO2/c1-5(7)6(2)8-3-4-9-6/h5H,3-4,7H2,1-2H3
• InChIKey: IXDJNJHGOQUYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methyl-1,3-dioxolan-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(2-methyl-1,3-dioxolan-2-yl)ethanamine
• Synonyms: 1-(2-methyl-1,3-dioxolan-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD19204484
• PubChem SID: 164297067
• PubChem CID: 18183206

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.812417
• LogD (pH = 7.4): -1.5191302
• Log P: 0.099580996
• Molar Refractivity: 34.215 cm^3
• Polarizability: 13.976185 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.119

Product Information

• Purity: 95%