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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate
N-OCTADECYLCYCLOHEXANE structure
N-OCTADECYLCYCLOHEXANE structure

N-OCTADECYLCYCLOHEXANE

Iupac Name:octadecylcyclohexane
CAS No.: 4445-06-1
Molecular Weight:336.648
Modify Date.: 2022-11-29 12:54
1. Names and Identifiers
1.1 Name
N-OCTADECYLCYCLOHEXANE
1.2 Synonyms

18-Cyclohexyloctadecane 1-CYCLOHEXYLOCTADECANE Cyclohexane, octadecyl- cyclohexane,octadecyl- N-OCTADECYLCYCLOHEXANE Octadecane, 1-cyclohexyl- octadecane,1-cyclohexyl- octadecyl-cyclohexan Octadecylcyclohexane Octodecylcyclohexane STEARYLCYCLOHEXANE

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1.3 CAS No.
4445-06-1
1.4 CID
20514
1.5 EINECS(EC#)
224-683-1
1.6 Molecular Formula
C24H48 (isomer)
1.7 Inchi
InChI=1S/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3
1.8 InChIkey
MWWVNZNVTGBKQO-UHFFFAOYSA-N
1.9 Canonical Smiles
CCCCCCCCCCCCCCCCCCC1CCCCC1
1.10 Isomers Smiles
CCCCCCCCCCCCCCCCCCC1CCCCC1
2. Properties
2.1 Density
0.824
2.1 Melting point
43 °C
2.1 Boiling point
409 °C
2.1 Refractive index
1.456
2.1 Flash Point
195.2°C
2.1 PSA
0
2.1 logP
12.91 (Predicted)
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Other Information
6.0 Manufacturing Info
Cyclohexane, octadecyl-: INACTIVE
7. Computational chemical data
  • Molecular Weight: 336.648g/mol
  • Molecular Formula: C24H48
  • Compound Is Canonicalized: True
  • XLogP3-AA: 12.7
  • Exact Mass: 336.375601531
  • Monoisotopic Mass: 336.375601531
  • Complexity: 226
  • Rotatable Bond Count: 17
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Topological Polar Surface Area: 0
  • Heavy Atom Count: 24
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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