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74515-25-6 molecular structure
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1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one

ChemBase ID: 155876
Molecular Formular: C24H35NO
Molecular Mass: 353.5408
Monoisotopic Mass: 353.27186475
SMILES and InChIs

SMILES:
CCCCCCCCCCCC(=O)c1ccc2cc(ccc2c1)N(C)C
Canonical SMILES:
CCCCCCCCCCCC(=O)c1ccc2c(c1)ccc(c2)N(C)C
InChI:
InChI=1S/C24H35NO/c1-4-5-6-7-8-9-10-11-12-13-24(26)22-15-14-21-19-23(25(2)3)17-16-20(21)18-22/h14-19H,4-13H2,1-3H3
InChIKey:
JHDGGIDITFLRJY-UHFFFAOYSA-N

Cite this record

CBID:155876 http://www.chembase.cn/molecule-155876.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one
IUPAC Traditional name
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one
Synonyms
2-(Dimethylamino)-6-dodecanoylnaphthalene
Laurdan
N,N-Dimethyl-6-dodecanoyl-2-naphthylamine
6-Dodecanoyl-N,N-dimethyl-2-naphthylamine
CAS Number
74515-25-6
MDL Number
MFCD00467560
Beilstein Number
7379104
PubChem SID
162250014
24865069
PubChem CID
104983

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
40227 external link Add to cart Please log in.
Data Source Data ID
PubChem 104983 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.080442  H Acceptors
H Donor LogD (pH = 5.5) 7.220724 
LogD (pH = 7.4) 7.328505  Log P 7.3300676 
Molar Refractivity 113.3755 cm3 Polarizability 44.934975 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
acetonitrile: soluble expand Show data source
DMF: soluble expand Show data source
methanol: soluble expand Show data source
Melting Point
88 °C(lit.) expand Show data source
Fluorescence
λex 366 nm; λem 497 nm in methanol expand Show data source
MSDS Link
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
Purity
≥97.0% (HPLC) expand Show data source
Suitability
suitable for fluorescence expand Show data source
Empirical Formula (Hill Notation)
C24H35NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 40227 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
Fluorescent membrane probe1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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