1-aminopentan-3-ol

• ChemBase ID: 267132
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCCC(O)CC
• Canonical SMILES: NCCC(CC)O
• InChI: InChI=1S/C5H13NO/c1-2-5(7)3-4-6/h5,7H,2-4,6H2,1H3
• InChIKey: RPOTYPSPQZVIJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12190106
• PubChem SID: 164323042
• PubChem CID: 9964071

CALCULATED PROPERTIES

• Acid pKa: 15.2306385
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3282163
• LogD (pH = 7.4): -2.6507983
• 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%