1-azido-11-[(11-azidoundecyl)disulfanyl]undecane

• ChemBase ID: 141684
• Molecular Formular: C22H44N6S2
• Molecular Mass: 456.75496
• Monoisotopic Mass: 456.30688744
• SMILES: C(CCCCCN=[N+]=[N-])CCCCCSSCCCCCCCCCCCN=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCCCCCCCCCCCSSCCCCCCCCCCCN=[N+]=[N-]
• InChI: InChI=1S/C22H44N6S2/c23-27-25-19-15-11-7-3-1-5-9-13-17-21-29-30-22-18-14-10-6-2-4-8-12-16-20-26-28-24/h1-22H2
• InChIKey: GIGNSCLNVXDBBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azido-11-[(11-azidoundecyl)disulfanyl]undecane
• IUPAC Traditional name: 1-azido-11-[(11-azidoundecyl)disulfanyl]undecane
• Synonyms: Bis(11-azidoundecyl) disulfide; 双(11-叠氮十一烷基)二硫化物

Database IDs

• CAS Number: 881375-91-3
• MDL Number: MFCD11656074
• PubChem SID: 162235918
• PubChem CID: 57355117

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 8.709607
• LogD (pH = 7.4): 8.709607
• Log P: 8.937698
• Molar Refractivity: 135.6952 cm^3
• Polarizability: 51.925507 Å^3
• Polar Surface Area: 58.86 Å^2
• Rotatable Bonds: 25
• 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: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C22H44N6S2

DETAILS

Sigma Aldrich - 701300

Packaging
50 mg in glass bottle