10-aminodecan-1-ol

• ChemBase ID: 159978
• Molecular Formular: C10H23NO
• Molecular Mass: 173.29572
• Monoisotopic Mass: 173.17796436
• SMILES: NCCCCCCCCCCO
• Canonical SMILES: NCCCCCCCCCCO
• InChI: InChI=1S/C10H23NO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-11H2
• InChIKey: SWVSKCPPMNGBGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-aminodecan-1-ol
• IUPAC Traditional name: 10-aminodecan-1-ol
• Synonyms: 10-Aminodecanol; 10-Amino-1-decanol

Database IDs

• CAS Number: 23160-46-5
• PubChem SID: 162254113
• PubChem CID: 4465355

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0948148
• LogD (pH = 7.4): -0.67503816
• Log P: 1.9291735
• Molar Refractivity: 53.3271 cm^3
• Polarizability: 21.305527 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White Solid

REFERENCES

• Lee, T., et al.: J. Biol. Chem., 270, 5375 (1995)