1-[2-(1-cyanocyclohexyl)diazen-1-yl]cyclohexane-1-carbonitrile

• ChemBase ID: 109800
• Molecular Formular: C14H20N4
• Molecular Mass: 244.3354
• Monoisotopic Mass: 244.16879666
• SMILES: N#CC1(CCCCC1)/N=N/C1(CCCCC1)C#N
• Canonical SMILES: N#CC1(CCCCC1)/N=N/C1(CCCCC1)C#N
• InChI: InChI=1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2
• InChIKey: KYIKRXIYLAGAKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(1-cyanocyclohexyl)diazen-1-yl]cyclohexane-1-carbonitrile
• IUPAC Systematic name: 1,1'-Diazene-1,2-diyldicyclohexanecarbonitrile
• IUPAC Traditional name: ABCN
• Synonyms: ACHN; 1,1′-Azobis(cyanocyclohexane); VAZO™ catalyst 88 free radical source; 1,1′-Azobis(cyclohexanecarbonitrile); 1,1'-AZODICYCLOHEXANE CARBONITRILE; ABCN; 1,1'-偶氮(氰基环己烷); VAZO™ 催化剂 88 自由基源; 1,1′-偶氮双(环己烷甲腈)

Database IDs

• CAS Number: 2094-98-6
• EC Number: 218-254-8
• MDL Number: MFCD00046334
• Beilstein Number: 960744
• PubChem SID: 162095281; 24863728
• PubChem CID: 74978
• Chemspider ID: 21159585
• Wikipedia Title: ABCN

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.322143
• LogD (pH = 7.4): 3.322143
• Log P: 3.322143
• Molar Refractivity: 69.0292 cm^3
• Polarizability: 26.442776 Å^3
• Polar Surface Area: 72.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 118°C; 114-118 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3226
• German water hazard class: 3
• Hazard Class: 4.1
• Risk Statements: 11-36/37/38; R11, R36/37/38
• Safety Statements: 26; S26
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: 242, 315, 319, 335; H242-H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3226 4.1
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: NCC6H10N=NC6H10CN

DETAILS

MP Biomedicals - 05212624

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 380210

Application
A more efficient radical initiator than AIBN has been employed to initiate primary radical reactions.1
Packaging
25, 100 g in poly bottle
Legal Information
DuPont product
VAZO is a trademark of E. I. du Pont de Nemours and Company