12-aminododecan-1-ol

• ChemBase ID: 160069
• Molecular Formular: C12H27NO
• Molecular Mass: 201.34888
• Monoisotopic Mass: 201.20926449
• SMILES: NCCCCCCCCCCCCO
• Canonical SMILES: NCCCCCCCCCCCCO
• InChI: InChI=1S/C12H27NO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-13H2
• InChIKey: IIWXYWWVCBRBCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-aminododecan-1-ol
• IUPAC Traditional name: 12-aminododecan-1-ol
• Synonyms: 12-Amino-1-dodecanol

Database IDs

• CAS Number: 67107-87-3
• PubChem SID: 162254204
• PubChem CID: 5182020

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.20567739
• LogD (pH = 7.4): 0.21409917
• Log P: 2.8183107
• Molar Refractivity: 62.5291 cm^3
• Polarizability: 24.996824 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: White Solid
• Melting Point: 119-125°C

Safety Information

• Storage Condition: -20°C Freezer