Home > Compound List > Compound details
6343-74-4 molecular structure
click picture or here to close

naphthalen-2-yl octadecanoate

ChemBase ID: 102289
Molecular Formular: C28H42O2
Molecular Mass: 410.63188
Monoisotopic Mass: 410.31848058
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC(=O)Oc1cc2c(cccc2)cc1
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)cccc2
InChI:
InChI=1S/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(29)30-27-23-22-25-19-17-18-20-26(25)24-27/h17-20,22-24H,2-16,21H2,1H3
InChIKey:
JIMMXKUAHBEQPE-UHFFFAOYSA-N

Cite this record

CBID:102289 http://www.chembase.cn/molecule-102289.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalen-2-yl octadecanoate
IUPAC Traditional name
naphthalen-2-yl octadecanoate
Synonyms
2-Naphthyl stearate
Octadecanoic acid 2-naphthyl ester
2-Naphthyl stearate
β-NAPHTHYL STEARATE
CAS Number
6343-74-4
EC Number
228-742-2
MDL Number
MFCD00051169
PubChem SID
24897439
162089980
PubChem CID
80657

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 80657 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.93905  LogD (pH = 7.4) 9.93905 
Log P 9.93905  Molar Refractivity 127.2825 cm3
Polarizability 51.852386 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 18  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
75°C expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~95% expand Show data source
96-99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02100986 external link
Crystalline
Purity: 96-99%
MP Biomedicals - 05216226 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle