3-ethoxyoxan-4-amine

• ChemBase ID: 277149
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C1(C(N)CCOC1)OCC
• Canonical SMILES: CCOC1COCCC1N
• InChI: InChI=1S/C7H15NO2/c1-2-10-7-5-9-4-3-6(7)8/h6-7H,2-5,8H2,1H3
• InChIKey: BRHMISIZVJYWHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyoxan-4-amine
• IUPAC Traditional name: 3-ethoxyoxan-4-amine
• Synonyms: 3-ethoxyoxan-4-amine

Database IDs

• MDL Number: MFCD12087955
• PubChem SID: 164333059
• PubChem CID: 43608859

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3547738
• LogD (pH = 7.4): -2.52858
• Log P: -0.354633
• Molar Refractivity: 38.9912 cm^3
• Polarizability: 15.811754 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.319

Product Information

• Purity: 95%