32-azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine

• ChemBase ID: 152413
• Molecular Formular: C22H46N4O10
• Molecular Mass: 526.62144
• Monoisotopic Mass: 526.32139369
• SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N
• Canonical SMILES: NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C22H46N4O10/c23-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-25-26-24/h1-23H2
• InChIKey: RMNAJNJBCBFOKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 32-azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine
• IUPAC Traditional name: 32-azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine
• Synonyms: Azido-PEG-amine (n=10); O-(2-Aminoethyl)-O′-(2-azidoethyl)nonaethylene glycol; 32-Azido-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontan-1-amine; O-(2-Aminoethyl)-O-(2-azidoethyl)nonaethylene Glycol; 叠氮-PEG-胺（聚合度为 10）; O-(2-氨基乙基)-O′-(2-叠氮乙基)九聚乙二醇

Database IDs

• CAS Number: 912849-73-1
• MDL Number: MFCD03453246
• PubChem SID: 162246558; 24887231
• PubChem CID: 4093966

CALCULATED PROPERTIES

• H Acceptors: 13
• H Donor: 1
• LogD (pH = 5.5): -4.0621214
• LogD (pH = 7.4): -3.086433
• Log P: -0.96497154
• Molar Refractivity: 132.9386 cm^3
• Polarizability: 52.17001 Å^3
• Polar Surface Area: 147.75 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (oligomer purity)
• Empirical Formula (Hill Notation): C22H46N4O10

DETAILS

Sigma Aldrich - 77787

Packaging
500 mg in poly bottle

Toronto Research Chemicals - A608835

Reagent used in the construction of intramolecular linkers

REFERENCES

• Chan, Mi Bioconjug. Chem., 20, 1194 (2009)