undec-3-yne

• ChemBase ID: 112786
• Molecular Formular: C11H20
• Molecular Mass: 152.2765
• Monoisotopic Mass: 152.15650064
• SMILES: CCCCCCCC#CCC
• Canonical SMILES: CCCCCCCC#CCC
• InChI: InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-5,7,9-11H2,1-2H3
• InChIKey: DPWGJNPCPLQVKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-3-yne
• IUPAC Traditional name: undec-3-yne
• Synonyms: 3-UNDECYNE; Ethyl n-heptyl acetylene; 3-Undecyne; 3-十一炔

Database IDs

• CAS Number: 60212-30-8
• MDL Number: MFCD00041663
• PubChem SID: 162097744
• PubChem CID: 143689

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.938688
• LogD (pH = 7.4): 4.938688
• Log P: 4.938688
• Molar Refractivity: 51.7746 cm^3
• Polarizability: 19.95288 Å^3

PROPERTIES

Physical Property

• Boiling Point: 79-81°C/10mm
• Density: 0.770

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05225821

MP Biomedicals Rare Chemical collection