2,3-dimethyloxolan-3-amine

• ChemBase ID: 247479
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(C(OCC1)C)(N)C
• Canonical SMILES: CC1OCCC1(C)N
• InChI: InChI=1S/C6H13NO/c1-5-6(2,7)3-4-8-5/h5H,3-4,7H2,1-2H3
• InChIKey: AXWLTIYDQWQSEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyloxolan-3-amine
• IUPAC Traditional name: 2,3-dimethyloxolan-3-amine
• Synonyms: 2,3-dimethyloxolan-3-amine

Database IDs

• PubChem SID: 164303389
• PubChem CID: 71758231

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0443258
• LogD (pH = 7.4): -2.4637408
• Log P: -0.027080815
• Molar Refractivity: 32.5859 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.334

Product Information

• Purity: 95%