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103-98-0 molecular structure
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N-(4-hydroxyphenyl)dodecanamide

ChemBase ID: 107091
Molecular Formular: C18H29NO2
Molecular Mass: 291.42836
Monoisotopic Mass: 291.21982917
SMILES and InChIs

SMILES:
CCCCCCCCCCCC(=O)Nc1ccc(O)cc1
Canonical SMILES:
CCCCCCCCCCCC(=O)Nc1ccc(cc1)O
InChI:
InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-16-12-14-17(20)15-13-16/h12-15,20H,2-11H2,1H3,(H,19,21)
InChIKey:
JVKWTDRHWOSRFT-UHFFFAOYSA-N

Cite this record

CBID:107091 http://www.chembase.cn/molecule-107091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-hydroxyphenyl)dodecanamide
IUPAC Traditional name
N-(4-hydroxyphenyl)dodecanamide
Synonyms
N-LAUROYL-p-AMINOPHENOL
CAS Number
103-98-0
PubChem SID
162093158
PubChem CID
66902

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202518 external link Add to cart Please log in.
Data Source Data ID
PubChem 66902 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.461598  H Acceptors
H Donor LogD (pH = 5.5) 5.6089973 
LogD (pH = 7.4) 5.6053143  Log P 5.6090446 
Molar Refractivity 88.9378 cm3 Polarizability 34.2349 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202518 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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