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

• ChemBase ID: 65131
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C1OC(OC1)(C)CCN
• Canonical SMILES: NCCC1(C)OCCO1
• InChI: InChI=1S/C6H13NO2/c1-6(2-3-7)8-4-5-9-6/h2-5,7H2,1H3
• InChIKey: GVVWCRQQBUQLMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-dioxolan-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methyl-1,3-dioxolan-2-yl)ethanamine
• Synonyms: 2-Methyl-1,3-dioxolane-2-ethanamine; 2-Methyl-1,3-dioxolane-2-ethanamine; 4-Aminobutan-2-one Ethylene Acetal; 2-(2-Aminoethyl)-2-methyl-1,3-dioxolane; 2-(2-methyl-1,3-dioxolan-2-yl)ethan-1-amine

Database IDs

• CAS Number: 62240-37-3
• MDL Number: MFCD09923503
• PubChem SID: 162030870
• PubChem CID: 10942456

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0667095
• LogD (pH = 7.4): -2.544913
• Log P: -0.046690907
• Molar Refractivity: 34.248 cm^3
• Polarizability: 13.976185 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.418

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 99%

DETAILS

Toronto Research Chemicals - A608965

Used in the total synthesis of (+/-)-Methyl Homodaphniphyllate.