nonacosane

nonacosane
Compound Structure:
Synonyms: Nonacosane; n-Nonacosane; CELIDONIOL, DEOXY-; Octacosane, methyl-; N-BOC-4-NITRO-L-PHENYLALANINE-T-BUTYLESTER
Compound ID: NMPC-1323
PubChem ID:

12409
Molecular Formula: C29H60
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey: IGGUPRCHHJZPBS-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

408.8 g/mol

XLogP3

15.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

26

Exact Mass

408.469501914 g/mol

Monoisotopic Mass

408.469501914 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

29

Formal Charge

0

Complexity

231

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Boiling Point

443 °C

Melting Point

64 °C

Density

0.8083 g/cu cm at 20 °C

Solubility 

Very soluble in ethanol, ether, acetone; soluble in benzene; slightly soluble in chloroform

Vapor Pressure

4.3X10-10 mm Hg at 25 (extrapolated)

Source: PubChem        
Source Species: Garcinia kola
Download SDF