tetradecanenitrile

• ChemBase ID: 295558
• Molecular Formular: C14H27N
• Molecular Mass: 209.37088
• Monoisotopic Mass: 209.21434987
• SMILES: CCCCCCCCCCCCCC#N
• Canonical SMILES: CCCCCCCCCCCCCC#N
• InChI: InChI=1S/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3
• InChIKey: MLRCLPRHEOPXLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecanenitrile
• IUPAC Traditional name: tetradecanenitrile
• Synonyms: Myristonitrile; Myrystyl nitrile; Tetradecanonitrile; 十四腈

Database IDs

• CAS Number: 629-63-0
• EC Number: 211-099-7
• MDL Number: MFCD00019848
• Beilstein Number: 1705598
• PubChem SID: 180681089
• PubChem CID: 64678

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4253945
• LogD (pH = 7.4): 5.4253945
• Log P: 5.4253945
• Molar Refractivity: 66.8609 cm^3
• Polarizability: 26.394346 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ca 19°C
• Boiling Point: 226-227°C/100mm
• Density: 0.830
• Refractive Index: 1.4415

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 98%