tridec-1-yne

• ChemBase ID: 112769
• Molecular Formular: C13H24
• Molecular Mass: 180.32966
• Monoisotopic Mass: 180.18780077
• SMILES: CCCCCCCCCCCC#C
• Canonical SMILES: CCCCCCCCCCCC#C
• InChI: InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3
• InChIKey: GZEDKDBFUBPZNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridec-1-yne
• IUPAC Traditional name: tridec-1-yne
• Synonyms: 1-TRIDECYNE; 1-Tridecyne; 1-十三炔

Database IDs

• CAS Number: 26186-02-7
• EC Number: 247-511-7
• MDL Number: MFCD00015074
• Beilstein Number: 1744658
• PubChem SID: 162098284
• PubChem CID: 117754

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4359636
• LogD (pH = 7.4): 5.4359636
• Log P: 5.4359636
• Molar Refractivity: 60.0768 cm^3
• Polarizability: 23.646946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 116-118°C/10mm
• Flash Point: 75°C(167°F)
• Density: 0.780
• Refractive Index: 1.4380

Safety Information

• TSCA Listed: 是
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05225721

MP Biomedicals Rare Chemical collection