3-[(2-ethylhexyl)oxy]propan-1-amine

• ChemBase ID: 288878
• Molecular Formular: C11H25NO
• Molecular Mass: 187.3223
• Monoisotopic Mass: 187.19361443
• SMILES: NCCCOCC(CC)CCCC
• Canonical SMILES: CCCCC(COCCCN)CC
• InChI: InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
• InChIKey: DVFGEIYOLIFSRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-ethylhexyl)oxy]propan-1-amine
• IUPAC Traditional name: 3-[(2-ethylhexyl)oxy]propan-1-amine
• Synonyms: 3-((2-Ethylhexyl)oxy)propan-1-amine

Database IDs

• CAS Number: 5397-31-9
• MDL Number: MFCD00025619
• PubChem SID: 180674409
• PubChem CID: 21499

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6123568
• LogD (pH = 7.4): -0.15029259
• Log P: 2.410103
• Molar Refractivity: 57.9759 cm^3
• Polarizability: 23.225904 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%