3-aminopentan-1-ol

• ChemBase ID: 278439
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NC(CCO)CC
• Canonical SMILES: OCCC(CC)N
• InChI: InChI=1S/C5H13NO/c1-2-5(6)3-4-7/h5,7H,2-4,6H2,1H3
• InChIKey: GMQNGMZJGKHTIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopentan-1-ol
• IUPAC Traditional name: 3-aminopentan-1-ol
• Synonyms: 3-aminopentan-1-ol

Database IDs

• MDL Number: MFCD19216182
• PubChem SID: 164334349
• PubChem CID: 20129993

CALCULATED PROPERTIES

• Acid pKa: 15.924948
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.337892
• LogD (pH = 7.4): -2.8485467
• Log P: -0.31650373
• Molar Refractivity: 30.0193 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.119

Product Information

• Purity: 95%