tetradecanedinitrile

• ChemBase ID: 148176
• Molecular Formular: C14H24N2
• Molecular Mass: 220.35376
• Monoisotopic Mass: 220.19394878
• SMILES: C(CCCCCCC#N)CCCCCC#N
• Canonical SMILES: N#CCCCCCCCCCCCCC#N
• InChI: InChI=1S/C14H24N2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-12H2
• InChIKey: JTOFSXGLSGTDCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecanedinitrile
• IUPAC Traditional name: tetradecanedinitrile
• Synonyms: Tetradecanedinitrile; 十四烷二腈

Database IDs

• CAS Number: 7735-44-6
• MDL Number: MFCD00019847
• PubChem SID: 162242353
• PubChem CID: 2723883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.163101
• LogD (pH = 7.4): 4.163101
• Log P: 4.163101
• Molar Refractivity: 67.5056 cm^3
• Polarizability: 26.206753 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C14H24N2