non-2-yne

• ChemBase ID: 110924
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: CCCCCCC#CC
• Canonical SMILES: CCCCCCC#CC
• InChI: InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7-9H2,1-2H3
• InChIKey: LXKRETAGISZJAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-2-yne
• IUPAC Traditional name: 2-nonyne
• Synonyms: 2-NONYNE; Methyl n-hexyl acetylene; 2-Nonyne; 2-壬炔

Database IDs

• CAS Number: 19447-29-1
• MDL Number: MFCD00039986
• PubChem SID: 162106434
• PubChem CID: 140536

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0495505
• LogD (pH = 7.4): 4.0495505
• Log P: 4.0495505
• Molar Refractivity: 42.5726 cm^3
• Polarizability: 16.258823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 158-159°C
• Density: 0.768
• Refractive Index: 1.4340

Safety Information

• European Hazard Symbols: X
• UN Number: UN3295
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-65
• Safety Statements: 62
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS08
• GHS Hazard statements: H304-H226
• GHS Precautionary statements: P301+P330+P331-P315

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05217014

MP Biomedicals Rare Chemical collection