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34604-55-2 molecular structure
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2-(diethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide

ChemBase ID: 170704
Molecular Formular: C14H22N2O2
Molecular Mass: 250.33668
Monoisotopic Mass: 250.16812795
SMILES and InChIs

SMILES:
c1cc(c(c(c1C)NC(=O)CN(CC)CC)C)O
Canonical SMILES:
CCN(CC(=O)Nc1c(C)ccc(c1C)O)CC
InChI:
InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18)
InChIKey:
PMGUCIDDSCRAMY-UHFFFAOYSA-N

Cite this record

CBID:170704 http://www.chembase.cn/molecule-170704.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
IUPAC Traditional name
2-(diethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
Synonyms
2-(Diethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
m-Hydroxylidocaine
3-Hydroxy-ω-diethylamino-2,6-dimethylacetanilide
3-Hydroxy Lidocaine
CAS Number
34604-55-2
PubChem SID
164226614
PubChem CID
161824

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H943820 external link Add to cart
PubChem 161824 external link
Data Source Data ID Price
TRC
H943820 external link Add to cart Please log in.
Data Source Data ID
PubChem 161824 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.039888  H Acceptors
H Donor LogD (pH = 5.5) 0.3249923 
LogD (pH = 7.4) 2.03879  Log P 2.5393481 
Molar Refractivity 75.9105 cm3 Polarizability 28.232973 Å3
Polar Surface Area 52.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Light Brown Solid expand Show data source
Melting Point
192-195°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H943820 external link
A metabolite of Lidocaine (L397800).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Benowitz, N., et al.: Clin. Pharmacokinet., 3, 177 (1978)
  • • Bargetzi, M., et al.: Clin. Pharmacol. Ther., 46, 521 (1978)
  • • Newton, D., et al.: Drug Metab. Dispos., 23, 154 (1978)
  • • Venkatakrishnan, K., et al.: J. Clin. Pharmacol., 39, 567 (1978)
  • • Wang, J., e
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PATENTS

PATENTS

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INTERNET

INTERNET

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