1-(cyclohexylamino)propan-2-ol

• ChemBase ID: 268529
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N(CC(O)C)C1CCCCC1
• Canonical SMILES: CC(CNC1CCCCC1)O
• InChI: InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3
• InChIKey: HFHPBMVMXFZJNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylamino)propan-2-ol
• IUPAC Traditional name: 1-cyclohexylamino-2-propanol
• Synonyms: 1-(cyclohexylamino)propan-2-ol

Database IDs

• MDL Number: MFCD00021322
• PubChem SID: 164324439
• PubChem CID: 7630

CALCULATED PROPERTIES

• Acid pKa: 15.296249
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.898179
• LogD (pH = 7.4): -1.427567
• Log P: 1.3328651
• Molar Refractivity: 46.4187 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.349

Product Information

• Purity: 95%