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39942-50-2 molecular structure
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N-(3-amino-2,6-dimethylphenyl)-2-(diethylamino)acetamide

ChemBase ID: 160218
Molecular Formular: C14H23N3O
Molecular Mass: 249.35192
Monoisotopic Mass: 249.18411237
SMILES and InChIs

SMILES:
c1cc(c(c(c1C)NC(=O)CN(CC)CC)C)N
Canonical SMILES:
CCN(CC(=O)Nc1c(C)ccc(c1C)N)CC
InChI:
InChI=1S/C14H23N3O/c1-5-17(6-2)9-13(18)16-14-10(3)7-8-12(15)11(14)4/h7-8H,5-6,9,15H2,1-4H3,(H,16,18)
InChIKey:
QGGRMQFOEGNXNU-UHFFFAOYSA-N

Cite this record

CBID:160218 http://www.chembase.cn/molecule-160218.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-amino-2,6-dimethylphenyl)-2-(diethylamino)acetamide
IUPAC Traditional name
N-(3-amino-2,6-dimethylphenyl)-2-(diethylamino)acetamide
Synonyms
N-(3-Amino-2,6-dimethylphenyl)-2-(diethylamino)acetamide
2-Diethylamino-3'-amino-2',6'-acetoxylidide
NSC 34019
3-Amino Lidocaine
CAS Number
39942-50-2
PubChem SID
162254353
PubChem CID
234315

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A611785 external link Add to cart
PubChem 234315 external link
Data Source Data ID Price
TRC
A611785 external link Add to cart Please log in.
Data Source Data ID
PubChem 234315 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.6783  H Acceptors
H Donor LogD (pH = 5.5) -0.25249764 
LogD (pH = 7.4) 1.4968203  Log P 2.0139873 
Molar Refractivity 78.63 cm3 Polarizability 28.772228 Å3
Polar Surface Area 58.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Brown Solid expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A611785 external link
Intermediate in the preparation of hydroxylated Lidocaine metabolites.

REFERENCES

REFERENCES

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  • • Thomas, J., et al.: J. Med. Chem., 15, 1046 (1972)
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PATENTS

PATENTS

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INTERNET

INTERNET

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