3-(ethylamino)propan-1-ol

• ChemBase ID: 284762
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: N(CCCO)CC
• Canonical SMILES: OCCCNCC
• InChI: InChI=1S/C5H13NO/c1-2-6-4-3-5-7/h6-7H,2-5H2,1H3
• InChIKey: FBXBSCUQZWUZDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethylamino)propan-1-ol
• IUPAC Traditional name: 3-(ethylamino)propan-1-ol
• Synonyms: 3-(ethylamino)propan-1-ol

Database IDs

• MDL Number: MFCD09909394
• PubChem SID: 180670293
• PubChem CID: 10176104

CALCULATED PROPERTIES

• Acid pKa: 15.933839
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6890125
• LogD (pH = 7.4): -3.0466728
• Log P: -0.46621278
• Molar Refractivity: 30.5997 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.16

Product Information

• Purity: 95%