(2H40)nonadecane

• ChemBase ID: 145172
• Molecular Formular: C19H40
• Molecular Mass: 268.5209
• Monoisotopic Mass: 268.31300128
• SMILES: CCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
• InChIKey: LQERIDTXQFOHKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄₀)nonadecane
• IUPAC Traditional name: (^2H₄₀)nonadecane
• Synonyms: Nonadecane-d40; 正十九烷-d40

Database IDs

• CAS Number: 39756-36-0
• MDL Number: MFCD00144991
• PubChem SID: 162239382; 24869147
• PubChem CID: 16212982

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.91053
• LogD (pH = 7.4): 8.91053
• Log P: 8.91053
• Molar Refractivity: 89.2212 cm^3
• Polarizability: 35.83962 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 28-30 °C(lit.)
• Boiling Point: 330 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.904 g/mL at 25 °C
• Vapor Density: 9.27 (vs air)
• Mass Shift: M+40

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 307.97 by atom % calculation
• Linear Formula: CD3(CD2)17CD3

DETAILS

Sigma Aldrich - 456276

Packaging
250 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.