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

• ChemBase ID: 265382
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: [N+](=[N-])=N[C@H]1[C@H](O)CCCCC1
• Canonical SMILES: [N-]=[N+]=N[C@@H]1CCCCC[C@H]1O
• InChI: InChI=1S/C7H13N3O/c8-10-9-6-4-2-1-3-5-7(6)11/h6-7,11H,1-5H2/t6-,7-/m1/s1
• InChIKey: DXFAAMPAKSPSPV-RNFRBKRXSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705738
• PubChem SID: 164321292
• PubChem CID: 10975717

CALCULATED PROPERTIES

• Acid pKa: 14.400072
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3566573
• LogD (pH = 7.4): 1.3566573
• Log P: 1.470703
• Molar Refractivity: 41.5305 cm^3
• Polarizability: 15.804549 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.399

Product Information

• Purity: 95%