23-azido-3,6,9,12,15,18,21-heptaoxatricosan-1-ol

• ChemBase ID: 141051
• Molecular Formular: C16H33N3O8
• Molecular Mass: 395.44852
• Monoisotopic Mass: 395.22676503
• SMILES: C(COCCOCCOCCOCCOCCOCCOCCO)N=[N+]=[N-]
• Canonical SMILES: OCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C16H33N3O8/c17-19-18-1-3-21-5-7-23-9-11-25-13-15-27-16-14-26-12-10-24-8-6-22-4-2-20/h20H,1-16H2
• InChIKey: BUMODEBRFGPXRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 23-azido-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
• IUPAC Traditional name: 23-azido-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
• Synonyms: Azido-PEG (n=7); O-(2-Azidoethyl)heptaethylene glycol; 叠氮-PEG（聚合度为 7）; O-(2-叠氮乙基)七聚乙二醇

Database IDs

• CAS Number: 352439-36-2
• MDL Number: MFCD08274607
• Beilstein Number: 8940056
• PubChem SID: 162235287
• PubChem CID: 10960238

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 10
• H Donor: 1
• LogD (pH = 5.5): -0.8312089
• LogD (pH = 7.4): -0.8312089
• Log P: -0.7171632
• Molar Refractivity: 98.1506 cm^3
• Polarizability: 38.14374 Å^3
• Polar Surface Area: 114.27 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (oligomer purity)
• Mol. Weight: average Mn 400
• Empirical Formula (Hill Notation): C16H33N3O8

DETAILS

Sigma Aldrich - 689440

Packaging
250 mg in glass bottle