(1R,2R)-2-azidocyclohexan-1-ol

• ChemBase ID: 262562
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: [N+](=[N-])=N[C@H]1[C@H](O)CCCC1
• Canonical SMILES: [N-]=[N+]=N[C@@H]1CCCC[C@H]1O
• InChI: InChI=1S/C6H11N3O/c7-9-8-5-3-1-2-4-6(5)10/h5-6,10H,1-4H2/t5-,6-/m1/s1
• InChIKey: QECSGTHYJAPXMH-PHDIDXHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-azidocyclohexan-1-ol
• IUPAC Traditional name: (1R,2R)-2-azidocyclohexan-1-ol
• Synonyms: trans-2-azidocyclohexan-1-ol

Database IDs

• MDL Number: MFCD12913196
• PubChem SID: 164318472
• PubChem CID: 11094719

CALCULATED PROPERTIES

• Acid pKa: 14.400071
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91208863
• LogD (pH = 7.4): 0.9120886
• Log P: 1.0261343
• Molar Refractivity: 36.9295 cm^3
• Polarizability: 13.976822 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.84

Product Information

• Purity: 95%