1-(dimethyl-1,2-oxazol-4-yl)ethan-1-amine

• ChemBase ID: 274745
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: c1(c(onc1C)C)C(N)C
• Canonical SMILES: CC(c1c(C)noc1C)N
• InChI: InChI=1S/C7H12N2O/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3
• InChIKey: FZJLBPYJNDDVPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,2-oxazol-4-yl)ethan-1-amine
• IUPAC Traditional name: 1-(dimethyl-1,2-oxazol-4-yl)ethanamine
• Synonyms: 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD08701358
• PubChem SID: 164330655
• PubChem CID: 23006348

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6039267
• LogD (pH = 7.4): -1.1189411
• Log P: 0.21106617
• Molar Refractivity: 40.1334 cm^3
• Polarizability: 15.045376 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.18

Product Information

• Purity: 95%