decanenitrile

• ChemBase ID: 74490
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: N#CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCC#N
• InChI: InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
• InChIKey: HBZDPWBWBJMYRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decanenitrile
• IUPAC Traditional name: decanenitrile
• Synonyms: Decanoic acid nitrile; n-DECANENITRILE; 1-Cyanononane; Decanonitrile; 癸腈

Database IDs

• CAS Number: 1975-78-6
• EC Number: 217-830-6
• MDL Number: MFCD00039505
• PubChem SID: 162039409
• PubChem CID: 74791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6471198
• LogD (pH = 7.4): 3.6471198
• Log P: 3.6471198
• Molar Refractivity: 48.4569 cm^3
• Polarizability: 19.008682 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -15°C
• Boiling Point: 241-243°C
• Density: 0.81
• Refractive Index: 1.4300

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05208819

MP Biomedicals Rare Chemical collection