2-(pentylamino)ethan-1-ol

• ChemBase ID: 112398
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: CCCCCNCCO
• Canonical SMILES: CCCCCNCCO
• InChI: InChI=1S/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3
• InChIKey: SALYKAIZVOFAEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pentylamino)ethan-1-ol
• IUPAC Traditional name: 2-(pentylamino)ethanol
• Synonyms: 2-(n-AMYLAMINO)ETHANOL; 2-(pentylamino)ethan-1-ol

Database IDs

• CAS Number: 35161-67-2
• EC Number: 252-409-0
• MDL Number: MFCD00014031
• PubChem SID: 162097408
• PubChem CID: 97502

CALCULATED PROPERTIES

• Acid pKa: 15.602245
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3333726
• LogD (pH = 7.4): -1.6289454
• Log P: 0.8854872
• Molar Refractivity: 39.4603 cm^3
• Polarizability: 15.770842 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.125

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05223732

MP Biomedicals Rare Chemical collection