1-aminopentan-2-ol

• ChemBase ID: 273847
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCC(O)CCC
• Canonical SMILES: CCCC(CN)O
• InChI: InChI=1S/C5H13NO/c1-2-3-5(7)4-6/h5,7H,2-4,6H2,1H3
• InChIKey: ZRUPXAZUXDFLTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminopentan-2-ol
• IUPAC Traditional name: 2-pentanol, 1-amino-
• Synonyms: 1-aminopentan-2-ol

Database IDs

• MDL Number: MFCD01709192
• PubChem SID: 164329757
• PubChem CID: 95299

CALCULATED PROPERTIES

• Acid pKa: 14.906066
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9286335
• LogD (pH = 7.4): -2.0675817
• Log P: 0.068105206
• Molar Refractivity: 29.7549 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): 0.072

Product Information

• Purity: 95%