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1215576-01-4 molecular structure
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N,N-bis(2H5)ethyl-3-methylbenzamide

ChemBase ID: 165552
Molecular Formular: C12H17NO
Molecular Mass: 191.26948
Monoisotopic Mass: 191.13101417
SMILES and InChIs

SMILES:
c1(cccc(c1)C(=O)N(CC)CC)C
Canonical SMILES:
CCN(C(=O)c1cccc(c1)C)CC
InChI:
InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey:
MMOXZBCLCQITDF-UHFFFAOYSA-N

Cite this record

CBID:165552 http://www.chembase.cn/molecule-165552.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-bis(2H5)ethyl-3-methylbenzamide
IUPAC Traditional name
N,N-bis(2H5)ethyl-3-methylbenzamide
Synonyms
N,N-(Diethyl-d10)-3-methylbenzamide
3-Methyl-N,N-(diethyl-d10)benzamide
N,N-(Diethyl-d10)-m-toluamide
M-Det-d10
m-DETA-d10
m-Delphene-d10
ENT 22542-d10
Dieltamid-d10
Flypel-d10
Metadelphene-d10
DEET-d10
CAS Number
1215576-01-4
PubChem SID
162259685
PubChem CID
46780574

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D228502 external link Add to cart
PubChem 46780574 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 46780574 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4982743  LogD (pH = 7.4) 2.4982755 
Log P 2.4982755  Molar Refractivity 59.4682 cm3
Polarizability 22.294847 Å3 Polar Surface Area 20.31 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
Methanol expand Show data source
Apperance
Pale Yellow Oil expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gilbert, I.H., et al.: J. Econ. Entomol., 48, 741 (1955)
  • • Ambrose, A.M., et al.: Toxicol. Appl. Pharmacol., 1, 97 (1955)
  • • Blomquist, L., Acta Pharmacol. Toxicol., 41, 235 (1955)
  • • Yeung, J.M., et al.: Drug Metab. Dispos., 16, 600 (1955)
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PATENTS

PATENTS

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INTERNET

INTERNET

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