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30577-84-5 molecular structure
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N,N-diethyl-2,3-dimethoxybenzamide

ChemBase ID: 108851
Molecular Formular: C13H19NO3
Molecular Mass: 237.29486
Monoisotopic Mass: 237.13649347
SMILES and InChIs

SMILES:
CCN(CC)C(=O)c1cccc(OC)c1OC
Canonical SMILES:
CCN(C(=O)c1cccc(c1OC)OC)CC
InChI:
InChI=1S/C13H19NO3/c1-5-14(6-2)13(15)10-8-7-9-11(16-3)12(10)17-4/h7-9H,5-6H2,1-4H3
InChIKey:
SUSWIGCCIPLSLE-UHFFFAOYSA-N

Cite this record

CBID:108851 http://www.chembase.cn/molecule-108851.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-2,3-dimethoxybenzamide
IUPAC Traditional name
N,N-diethyl-2,3-dimethoxybenzamide
Synonyms
N,N-DIETHYL-2,3-DIMETHOXYBENZAMIDE
CAS Number
30577-84-5
PubChem SID
162094629
PubChem CID
346069

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05208983 external link Add to cart Please log in.
Data Source Data ID
PubChem 346069 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6695113  LogD (pH = 7.4) 1.6695117 
Log P 1.6695117  Molar Refractivity 67.3534 cm3
Polarizability 25.569487 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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 - 05208983 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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