13-azido-2,5,8,11-tetraoxatridecane

• ChemBase ID: 142594
• Molecular Formular: C9H19N3O4
• Molecular Mass: 233.26486
• Monoisotopic Mass: 233.1375561
• SMILES: COCCOCCOCCOCCN=[N+]=[N-]
• Canonical SMILES: COCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C9H19N3O4/c1-13-4-5-15-8-9-16-7-6-14-3-2-11-12-10/h2-9H2,1H3
• InChIKey: FFOZZVDSANUDAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 13-azido-2,5,8,11-tetraoxatridecane
• IUPAC Traditional name: 13-azido-2,5,8,11-tetraoxatridecane
• Synonyms: 1-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}-2-methoxyethane; 13-Azido-2,5,8,11-tetraoxatridecane; O-(2-Azidoethyl)-O′-methyl-triethylene glycol; 1-{2-[2-(2-叠氮乙氧基)乙氧基]乙氧基}-2-甲氧基乙烷; 13-叠氮-2,5,8,11-四氧杂十三烷; O-(2-叠氮乙基)-O′-甲基-三乙二醇

Database IDs

• CAS Number: 606130-90-9
• MDL Number: MFCD13184960
• PubChem SID: 162236821
• PubChem CID: 51340962

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.8031971E-4
• LogD (pH = 7.4): -1.8031934E-4
• Log P: 0.11386533
• Molar Refractivity: 58.7278 cm^3
• Polarizability: 22.462223 Å^3
• Polar Surface Area: 66.35 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (NMR)
• Mol. Weight: average Mn 200
• Empirical Formula (Hill Notation): C9H19N3O4

DETAILS

Sigma Aldrich - 712590

Packaging
100 mg in glass bottle