1-azidotriacontane

• ChemBase ID: 178871
• Molecular Formular: C30H61N3
• Molecular Mass: 463.82544
• Monoisotopic Mass: 463.48654897
• SMILES: C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)N=[N+]=[N-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN=[N+]=[N-]
• InChI: InChI=1S/C30H61N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-31/h2-30H2,1H3
• InChIKey: JABIDXRKILOWSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azidotriacontane
• IUPAC Traditional name: 1-azidotriacontane
• Synonyms: 1-Azidotriacontane; 1-Triacontylazide

Database IDs

• CAS Number: 1346603-49-3
• PubChem SID: 164234781
• PubChem CID: 71752669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 13.070406
• LogD (pH = 7.4): 13.070406
• Log P: 13.184452
• Molar Refractivity: 148.0534 cm^3
• Polarizability: 58.312782 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 29
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Powder