N-methyloxolan-3-amine

• ChemBase ID: 63871
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N(C1COCC1)C
• Canonical SMILES: CNC1COCC1
• InChI: InChI=1S/C5H11NO/c1-6-5-2-3-7-4-5/h5-6H,2-4H2,1H3
• InChIKey: LQVZUXUQGFIYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyloxolan-3-amine
• IUPAC Traditional name: N-methyloxolan-3-amine
• Synonyms: N-methyltetrahydrofuran-3-amine; N-methyloxolan-3-amine; N-Methyl-tetrahydrofuran-3-amine; Methyl-(tetrahydro-furan-3-yl)-amine

Database IDs

• CAS Number: 89487-67-2
• MDL Number: MFCD07786690
• PubChem SID: 162029610
• PubChem CID: 22225706

CALCULATED PROPERTIES

• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4901433
• LogD (pH = 7.4): -2.5635624
• Log P: -0.2916521
• Molar Refractivity: 28.3035 cm^3
• Polarizability: 11.428371 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.418

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 96%